N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone

C130H120F7N23O4 — CID 157407134

IUPACN-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
SMILESCc1cc(C(=O)Cc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Cc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Nc2cc(C(N)(CCC3CC3)c3cccc(C#N)c3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1nccc2ccc(-n3nc(C(=O)Nc4cc(C(N)(CCC5CC5)c5ccncc5)ccc4F)cc3C(F)(F)F)cc12
InChIInChI=1S/C33H30FN7O.C33H32FN5O.C32H28F4N6O.C32H30FN5O/c1-20-15-30(41(40-20)26-9-7-23-12-14-38-31(36)27(23)18-26)32(42)39-29-17-25(8-10-28(29)34)33(37,13-11-21-5-6-21)24-4-2-3-22(16-24)19-35;1-21-17-30(39(38-21)27-11-9-23-14-16-37-32(35)28(23)20-27)31(40)19-24-18-26(10-12-29(24)34)33(36,15-13-22-7-8-22)25-5-3-2-4-6-25;1-19-25-17-24(6-4-21(25)9-15-39-19)42-29(32(34,35)36)18-28(41-42)30(43)40-27-16-23(5-7-26(27)33)31(37,12-8-20-2-3-20)22-10-13-38-14-11-22;1-20-15-29(38(37-20)26-11-9-22-13-14-35-32(34)27(22)18-26)30(39)17-25-16-24(10-12-28(25)33)31(36-19-21-7-8-21)23-5-3-2-4-6-23/h2-4,7-10,12,14-18,21H,5-6,11,13,37H2,1H3,(H2,36,38)(H,39,42);2-6,9-12,14,16-18,20,22H,7-8,13,15,19,36H2,1H3,(H2,35,37);4-7,9-11,13-18,20H,2-3,8,12,37H2,1H3,(H,40,43);2-6,9-16,18,21,31,36H,7-8,17,19H2,1H3,(H2,34,35)
InChIKeyBNVTZNXRMVZCFR-UHFFFAOYSA-N
MW2201.53 g/mol
LogP25.13
Rot. Bonds34

About N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone

N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone (PubChem CID 157407134) has the molecular formula C130H120F7N23O4 and a molecular weight of 2201.53 g/mol. Its IUPAC name is N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone.

Molecular Properties

Compound NameN-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
PubChem CID157407134
Molecular FormulaC130H120F7N23O4
Molecular Weight2201.53 g/mol
Exact Mass2199.98
IUPAC NameN-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone
SMILESCc1cc(C(=O)Cc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Cc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Nc2cc(C(N)(CCC3CC3)c3cccc(C#N)c3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1nccc2ccc(-n3nc(C(=O)Nc4cc(C(N)(CCC5CC5)c5ccncc5)ccc4F)cc3C(F)(F)F)cc12
InChIInChI=1S/C33H30FN7O.C33H32FN5O.C32H28F4N6O.C32H30FN5O/c1-20-15-30(41(40-20)26-9-7-23-12-14-38-31(36)27(23)18-26)32(42)39-29-17-25(8-10-28(29)34)33(37,13-11-21-5-6-21)24-4-2-3-22(16-24)19-35;1-21-17-30(39(38-21)27-11-9-23-14-16-37-32(35)28(23)20-27)31(40)19-24-18-26(10-12-29(24)34)33(36,15-13-22-7-8-22)25-5-3-2-4-6-25;1-19-25-17-24(6-4-21(25)9-15-39-19)42-29(32(34,35)36)18-28(41-42)30(43)40-27-16-23(5-7-26(27)33)31(37,12-8-20-2-3-20)22-10-13-38-14-11-22;1-20-15-29(38(37-20)26-11-9-22-13-14-35-32(34)27(22)18-26)30(39)17-25-16-24(10-12-28(25)33)31(36-19-21-7-8-21)23-5-3-2-4-6-23/h2-4,7-10,12,14-18,21H,5-6,11,13,37H2,1H3,(H2,36,38)(H,39,42);2-6,9-12,14,16-18,20,22H,7-8,13,15,19,36H2,1H3,(H2,35,37);4-7,9-11,13-18,20H,2-3,8,12,37H2,1H3,(H,40,43);2-6,9-16,18,21,31,36H,7-8,17,19H2,1H3,(H2,34,35)
InChIKeyBNVTZNXRMVZCFR-UHFFFAOYSA-N
XLogP25.13
TPSA420.01 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002201.53
LogP ≤ 525.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone with MolForge

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Related Compounds

(+)-N-(5-(1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl)-2-fluorophenyl)-1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665459
(+)-1-(1-aminoisoquinolin-7-yl)-N-(5-((3-cyanophenyl)(cyclopropyl methylamino)methyl)-2-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665470
2-(1-aminoisoquinolin-7-yl)-N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 126665471
2-(1-aminoisoquinolin-7-yl)-N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide
CID 126681796
N-[5-[[[2-[2-[3-amino-3-[3-[[1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-4-fluorophenyl]-3-pyridin-4-ylpropyl]cyclopropyl]cyclopropyl]methylamino]-phenylmethyl]-2-fluorophenyl]-1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 146536070
N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-(1-aminoisoquinolin-7-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide;hydrochloride
CID 155759371
Bis[3,4-ditert-butyl-7-[5-[[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]isoquinolin-1-yl]carbamic acid
CID 156066671
5-[8-amino-3-[(2-cyanocyclopropanecarbonyl)amino]isoquinolin-6-yl]-N,1-dimethylpyrazole-3-carboxamide;N-[8-amino-7-cyano-6-(2-methylphenyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(6-methylimidazo[1,2-a]pyridin-7-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-(1H-pyrrol-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide;N-[8-amino-6-[5-(trifluoromethyl)-2H-pyrrol-4-yl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 157129293
N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridazin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157172471
N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1-methyl-6-oxo-3-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157356552
N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;1-(1-aminoisoquinolin-7-yl)-N-[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;carbon dioxide;methanol;7-[5-(trifluoromethyl)pyrazol-1-yl]isoquinolin-1-amine;hydrochloride
CID 157631076
N-[5-[5-cyano-6-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(4-oxo-1-pyridinyl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-pyridazin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157686770

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone?
The IUPAC name of N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone (CID 157407134) is N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone.
What is the SMILES notation for N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone?
The canonical SMILES for N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone is Cc1cc(C(=O)Cc2cc(C(N)(CCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Cc2cc(C(NCC3CC3)c3ccccc3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1cc(C(=O)Nc2cc(C(N)(CCC3CC3)c3cccc(C#N)c3)ccc2F)n(-c2ccc3ccnc(N)c3c2)n1.Cc1nccc2ccc(-n3nc(C(=O)Nc4cc(C(N)(CCC5CC5)c5ccncc5)ccc4F)cc3C(F)(F)F)cc12.
What is the InChIKey of N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone?
The InChIKey is BNVTZNXRMVZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN7O.C33H32FN5O.C32H28F4N6O.C32H30FN5O/c1-20-15-30(41(40-20)26-9-7-23-12-14-38-31(36)27(23)18-26)32(42)39-29-17-25(8-10-28(29)34)33(37,13-11-21-5-6-21)24-4-2-3-22(16-24)19-35;1-21-17-30(39(38-21)27-11-9-23-14-16-37-32(35)28(23)20-27)31(40)19-24-18-26(10-12-29(24)34)33(36,15-13-22-7-8-22)25-5-3-2-4-6-25;1-19-25-17-24(6-4-21(25)9-15-39-19)42-29(32(34,35)36)18-28(41-42)30(43)40-27-16-23(5-7-26(27)33)31(37,12-8-20-2-3-20)22-10-13-38-14-11-22;1-20-15-29(38(37-20)26-11-9-22-13-14-35-32(34)27(22)18-26)30(39)17-25-16-24(10-12-28(25)33)31(36-19-21-7-8-21)23-5-3-2-4-6-23/h2-4,7-10,12,14-18,21H,5-6,11,13,37H2,1H3,(H2,36,38)(H,39,42);2-6,9-12,14,16-18,20,22H,7-8,13,15,19,36H2,1H3,(H2,35,37);4-7,9-11,13-18,20H,2-3,8,12,37H2,1H3,(H,40,43);2-6,9-16,18,21,31,36H,7-8,17,19H2,1H3,(H2,34,35).
What are the key properties of N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone?
N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone has a molecular weight of 2201.53 g/mol, XLogP of 25.13, 34 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-2-(1-aminoisoquinolin-7-yl)-5-methylpyrazole-3-carboxamide;2-[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]-1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]ethanone;N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1-methylisoquinolin-7-yl)-5-(trifluoromethyl)pyrazole-3-carboxamide;1-[2-(1-aminoisoquinolin-7-yl)-5-methylpyrazol-3-yl]-2-[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]ethanone is sourced from PubChem (CID 157407134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).