N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C240H221N35O24S10 — CID 157394280

IUPACN-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCC(=O)[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.CS(=O)(=O)CCNC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.Cn1ccc2cccc(C(=O)Nc3ccc(C(=O)N4CCc5cc(C(=O)CC6CC6)sc5-c5ccccc54)cc3)c21.O=C(NCc1ccccn1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(NCc1nccs1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(Nc1ccc(C(=O)N2CCc3cc(C(=O)N4CCCC4)sc3-c3ccccc32)cc1)c1cccnc1N1CCCC1
InChIInChI=1S/C36H32N6O3S.C35H31N5O3S2.C34H30N6O3S2.C34H33N5O4S.C34H33N5O3S.C34H29N3O3S.C33H33N5O5S2/c43-34(29-10-7-18-38-33(29)41-19-5-6-20-41)40-26-14-12-24(13-15-26)36(45)42-21-16-25-22-31(35(44)39-23-27-8-3-4-17-37-27)46-32(25)28-9-1-2-11-30(28)42;41-33(28-9-5-16-36-32(28)39-17-3-4-18-39)38-25-13-11-23(12-14-25)35(43)40-19-15-24-21-30(34(42)37-22-26-7-6-20-44-26)45-31(24)27-8-1-2-10-29(27)40;41-32(26-7-5-14-36-31(26)39-16-3-4-17-39)38-24-11-9-22(10-12-24)34(43)40-18-13-23-20-28(33(42)37-21-29-35-15-19-44-29)45-30(23)25-6-1-2-8-27(25)40;1-21(22(2)40)36-33(42)29-20-24-15-19-39(28-10-4-3-8-26(28)30(24)44-29)34(43)23-11-13-25(14-12-23)37-32(41)27-9-7-16-35-31(27)38-17-5-6-18-38;40-32(27-9-7-16-35-31(27)37-17-3-4-18-37)36-25-13-11-23(12-14-25)33(41)39-21-15-24-22-29(34(42)38-19-5-6-20-38)43-30(24)26-8-1-2-10-28(26)39;1-36-17-15-22-5-4-7-27(31(22)36)33(39)35-25-13-11-23(12-14-25)34(40)37-18-16-24-20-30(29(38)19-21-9-10-21)41-32(24)26-6-2-3-8-28(26)37;1-45(42,43)20-16-35-32(40)28-21-23-14-19-38(27-9-3-2-7-25(27)29(23)44-28)33(41)22-10-12-24(13-11-22)36-31(39)26-8-6-15-34-30(26)37-17-4-5-18-37/h1-4,7-15,17-18,22H,5-6,16,19-21,23H2,(H,39,44)(H,40,43);1-2,5-14,16,20-21H,3-4,15,17-19,22H2,(H,37,42)(H,38,41);1-2,5-12,14-15,19-20H,3-4,13,16-18,21H2,(H,37,42)(H,38,41);3-4,7-14,16,20-21H,5-6,15,17-19H2,1-2H3,(H,36,42)(H,37,41);1-2,7-14,16,22H,3-6,15,17-21H2,(H,36,40);2-8,11-15,17,20-21H,9-10,16,18-19H2,1H3,(H,35,39);2-3,6-13,15,21H,4-5,14,16-20H2,1H3,(H,35,40)(H,36,39)/t;;;21-;;;/m...0.../s1
InChIKeyBMJPJZMSADWLBJ-FLJQEHMLSA-N
MW4300.30 g/mol
LogP42.96
Rot. Bonds47

About N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 157394280) has the molecular formula C240H221N35O24S10 and a molecular weight of 4300.30 g/mol. Its IUPAC name is N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID157394280
Molecular FormulaC240H221N35O24S10
Molecular Weight4300.30 g/mol
Exact Mass4296.44
IUPAC NameN-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCC(=O)[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.CS(=O)(=O)CCNC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.Cn1ccc2cccc(C(=O)Nc3ccc(C(=O)N4CCc5cc(C(=O)CC6CC6)sc5-c5ccccc54)cc3)c21.O=C(NCc1ccccn1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(NCc1nccs1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(Nc1ccc(C(=O)N2CCc3cc(C(=O)N4CCCC4)sc3-c3ccccc32)cc1)c1cccnc1N1CCCC1
InChIInChI=1S/C36H32N6O3S.C35H31N5O3S2.C34H30N6O3S2.C34H33N5O4S.C34H33N5O3S.C34H29N3O3S.C33H33N5O5S2/c43-34(29-10-7-18-38-33(29)41-19-5-6-20-41)40-26-14-12-24(13-15-26)36(45)42-21-16-25-22-31(35(44)39-23-27-8-3-4-17-37-27)46-32(25)28-9-1-2-11-30(28)42;41-33(28-9-5-16-36-32(28)39-17-3-4-18-39)38-25-13-11-23(12-14-25)35(43)40-19-15-24-21-30(34(42)37-22-26-7-6-20-44-26)45-31(24)27-8-1-2-10-29(27)40;41-32(26-7-5-14-36-31(26)39-16-3-4-17-39)38-24-11-9-22(10-12-24)34(43)40-18-13-23-20-28(33(42)37-21-29-35-15-19-44-29)45-30(23)25-6-1-2-8-27(25)40;1-21(22(2)40)36-33(42)29-20-24-15-19-39(28-10-4-3-8-26(28)30(24)44-29)34(43)23-11-13-25(14-12-23)37-32(41)27-9-7-16-35-31(27)38-17-5-6-18-38;40-32(27-9-7-16-35-31(27)37-17-3-4-18-37)36-25-13-11-23(12-14-25)33(41)39-21-15-24-22-29(34(42)38-19-5-6-20-38)43-30(24)26-8-1-2-10-28(26)39;1-36-17-15-22-5-4-7-27(31(22)36)33(39)35-25-13-11-23(12-14-25)34(40)37-18-16-24-20-30(29(38)19-21-9-10-21)41-32(24)26-6-2-3-8-28(26)37;1-45(42,43)20-16-35-32(40)28-21-23-14-19-38(27-9-3-2-7-25(27)29(23)44-28)33(41)22-10-12-24(13-11-22)36-31(39)26-8-6-15-34-30(26)37-17-4-5-18-37/h1-4,7-15,17-18,22H,5-6,16,19-21,23H2,(H,39,44)(H,40,43);1-2,5-14,16,20-21H,3-4,15,17-19,22H2,(H,37,42)(H,38,41);1-2,5-12,14-15,19-20H,3-4,13,16-18,21H2,(H,37,42)(H,38,41);3-4,7-14,16,20-21H,5-6,15,17-19H2,1-2H3,(H,36,42)(H,37,41);1-2,7-14,16,22H,3-6,15,17-21H2,(H,36,40);2-8,11-15,17,20-21H,9-10,16,18-19H2,1H3,(H,35,39);2-3,6-13,15,21H,4-5,14,16-20H2,1H3,(H,35,40)(H,36,39)/t;;;21-;;;/m...0.../s1
InChIKeyBMJPJZMSADWLBJ-FLJQEHMLSA-N
XLogP42.96
TPSA707.45 Ų
H-Bond Donors12
H-Bond Acceptors48
Rotatable Bonds47
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004300.30
LogP ≤ 542.96
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1048

Analyze N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The IUPAC name of N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 157394280) is N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is CC(=O)[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.CS(=O)(=O)CCNC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.Cn1ccc2cccc(C(=O)Nc3ccc(C(=O)N4CCc5cc(C(=O)CC6CC6)sc5-c5ccccc54)cc3)c21.O=C(NCc1ccccn1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(NCc1cccs1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(NCc1nccs1)c1cc2c(s1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3cccnc3N3CCCC3)cc1)CC2.O=C(Nc1ccc(C(=O)N2CCc3cc(C(=O)N4CCCC4)sc3-c3ccccc32)cc1)c1cccnc1N1CCCC1.
What is the InChIKey of N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is BMJPJZMSADWLBJ-FLJQEHMLSA-N. The full InChI is InChI=1S/C36H32N6O3S.C35H31N5O3S2.C34H30N6O3S2.C34H33N5O4S.C34H33N5O3S.C34H29N3O3S.C33H33N5O5S2/c43-34(29-10-7-18-38-33(29)41-19-5-6-20-41)40-26-14-12-24(13-15-26)36(45)42-21-16-25-22-31(35(44)39-23-27-8-3-4-17-37-27)46-32(25)28-9-1-2-11-30(28)42;41-33(28-9-5-16-36-32(28)39-17-3-4-18-39)38-25-13-11-23(12-14-25)35(43)40-19-15-24-21-30(34(42)37-22-26-7-6-20-44-26)45-31(24)27-8-1-2-10-29(27)40;41-32(26-7-5-14-36-31(26)39-16-3-4-17-39)38-24-11-9-22(10-12-24)34(43)40-18-13-23-20-28(33(42)37-21-29-35-15-19-44-29)45-30(23)25-6-1-2-8-27(25)40;1-21(22(2)40)36-33(42)29-20-24-15-19-39(28-10-4-3-8-26(28)30(24)44-29)34(43)23-11-13-25(14-12-23)37-32(41)27-9-7-16-35-31(27)38-17-5-6-18-38;40-32(27-9-7-16-35-31(27)37-17-3-4-18-37)36-25-13-11-23(12-14-25)33(41)39-21-15-24-22-29(34(42)38-19-5-6-20-38)43-30(24)26-8-1-2-10-28(26)39;1-36-17-15-22-5-4-7-27(31(22)36)33(39)35-25-13-11-23(12-14-25)34(40)37-18-16-24-20-30(29(38)19-21-9-10-21)41-32(24)26-6-2-3-8-28(26)37;1-45(42,43)20-16-35-32(40)28-21-23-14-19-38(27-9-3-2-7-25(27)29(23)44-28)33(41)22-10-12-24(13-11-22)36-31(39)26-8-6-15-34-30(26)37-17-4-5-18-37/h1-4,7-15,17-18,22H,5-6,16,19-21,23H2,(H,39,44)(H,40,43);1-2,5-14,16,20-21H,3-4,15,17-19,22H2,(H,37,42)(H,38,41);1-2,5-12,14-15,19-20H,3-4,13,16-18,21H2,(H,37,42)(H,38,41);3-4,7-14,16,20-21H,5-6,15,17-19H2,1-2H3,(H,36,42)(H,37,41);1-2,7-14,16,22H,3-6,15,17-21H2,(H,36,40);2-8,11-15,17,20-21H,9-10,16,18-19H2,1H3,(H,35,39);2-3,6-13,15,21H,4-5,14,16-20H2,1H3,(H,35,40)(H,36,39)/t;;;21-;;;/m...0.../s1.
What are the key properties of N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 4300.30 g/mol, XLogP of 42.96, 47 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-cyclopropylacetyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-1-methylindole-7-carboxamide;N-(2-methylsulfonylethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[(2S)-3-oxobutan-2-yl]-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-(pyridin-2-ylmethyl)-6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;N-[4-[2-(pyrrolidine-1-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-6-carbonyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(1,3-thiazol-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide;6-[4-[(2-pyrrolidin-1-ylpyridine-3-carbonyl)amino]benzoyl]-N-(thiophen-2-ylmethyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 157394280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).