(1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C120H131Cl3F4N22O11S — CID 158407783

IUPAC(1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cn2)c1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)Nc2ccc(Cl)s2)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)c2ccc3cc[nH]c3c2)C1.NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H]3C[C@H]3N2C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C32H34FN5O3.C31H36ClFN6O3.C29H30ClFN6O2.C28H31ClFN5O3S/c1-41-25-18-29(38(19-25)31(40)22-5-4-21-9-15-36-27(21)16-22)30(39)37-28-17-24(6-7-26(28)33)32(34,12-8-20-2-3-20)23-10-13-35-14-11-23;1-19-14-22(11-13-35-19)31(34-2,12-10-20-4-5-20)21-6-8-25(33)26(15-21)37-29(40)27-16-24(42-3)18-39(27)30(41)38-28-9-7-23(32)17-36-28;30-21-4-6-26(34-16-21)36-28(39)37-24-13-18(24)14-25(37)27(38)35-23-15-20(3-5-22(23)31)29(32,10-7-17-1-2-17)19-8-11-33-12-9-19;1-38-20-15-23(35(16-20)27(37)34-25-7-6-24(29)39-25)26(36)33-22-14-19(4-5-21(22)30)28(31,11-8-17-2-3-17)18-9-12-32-13-10-18/h4-7,9-11,13-17,20,25,29,36H,2-3,8,12,18-19,34H2,1H3,(H,37,39);6-9,11,13-15,17,20,24,27,34H,4-5,10,12,16,18H2,1-3H3,(H,37,40)(H,36,38,41);3-6,8-9,11-12,15-18,24-25H,1-2,7,10,13-14,32H2,(H,35,38)(H,34,36,39);4-7,9-10,12-14,17,20,23H,2-3,8,11,15-16,31H2,1H3,(H,33,36)(H,34,37)/t25-,29-,32?;24-,27-,31?;18-,24-,25-,29?;20-,23-,28?/m1111/s1
InChIKeyGYXMSNOAIBFAQR-YGRKEOQASA-N
MW2271.93 g/mol
LogP21.34
Rot. Bonds36

About (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 158407783) has the molecular formula C120H131Cl3F4N22O11S and a molecular weight of 2271.93 g/mol. Its IUPAC name is (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID158407783
Molecular FormulaC120H131Cl3F4N22O11S
Molecular Weight2271.93 g/mol
Exact Mass2268.91
IUPAC Name(1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cn2)c1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)Nc2ccc(Cl)s2)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)c2ccc3cc[nH]c3c2)C1.NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H]3C[C@H]3N2C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C32H34FN5O3.C31H36ClFN6O3.C29H30ClFN6O2.C28H31ClFN5O3S/c1-41-25-18-29(38(19-25)31(40)22-5-4-21-9-15-36-27(21)16-22)30(39)37-28-17-24(6-7-26(28)33)32(34,12-8-20-2-3-20)23-10-13-35-14-11-23;1-19-14-22(11-13-35-19)31(34-2,12-10-20-4-5-20)21-6-8-25(33)26(15-21)37-29(40)27-16-24(42-3)18-39(27)30(41)38-28-9-7-23(32)17-36-28;30-21-4-6-26(34-16-21)36-28(39)37-24-13-18(24)14-25(37)27(38)35-23-15-20(3-5-22(23)31)29(32,10-7-17-1-2-17)19-8-11-33-12-9-19;1-38-20-15-23(35(16-20)27(37)34-25-7-6-24(29)39-25)26(36)33-22-14-19(4-5-21(22)30)28(31,11-8-17-2-3-17)18-9-12-32-13-10-18/h4-7,9-11,13-17,20,25,29,36H,2-3,8,12,18-19,34H2,1H3,(H,37,39);6-9,11,13-15,17,20,24,27,34H,4-5,10,12,16,18H2,1-3H3,(H,37,40)(H,36,38,41);3-6,8-9,11-12,15-18,24-25H,1-2,7,10,13-14,32H2,(H,35,38)(H,34,36,39);4-7,9-10,12-14,17,20,23H,2-3,8,11,15-16,31H2,1H3,(H,33,36)(H,34,37)/t25-,29-,32?;24-,27-,31?;18-,24-,25-,29?;20-,23-,28?/m1111/s1
InChIKeyGYXMSNOAIBFAQR-YGRKEOQASA-N
XLogP21.34
TPSA444.64 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.93
LogP ≤ 521.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(ethylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 137359318
(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methanesulfonamido)-1-pyridin-4-ylpropyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 165061561
(2R,4R)-2-N-[5-[1-amino-1-(3H-azepin-2-yl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 166835454
(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 137359598
trans-(2S,4R)-2-N-[5-[1-amino-3-cyclopropyl-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methoxycyclopentane-1,2-dicarboxamide
CID 146383515
(2R,4R)-2-N-[5-[1-(tert-butylsulfinylamino)-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 146383520
(2R,4R)-2-N-[5-[1-amino-1-(3H-azepin-2-yl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-hydroxypyrrolidine-1,2-dicarboxamide
CID 167135966
sodium;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-4-methylpyrrolidine-2-carboxamide;tert-butyl (2R,4R)-2-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-3-cyclopropyl-1-pyridin-4-ylpropyl]-2-fluorophenyl]carbamoyl]-4-methylpyrrolidine-1-carboxylate;(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;oxido formate;hydrochloride
CID 160506578
(2R,4R)-2-N-[5-[1-amino-1-(3-cyanophenyl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(4-cyanophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 137359523
(2R,4S)-2-N-[5-[1-amino-1-(3H-azepin-2-yl)-3-cyclopropylpropyl]-2-fluorophenyl]-1-N-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenylpyrrolidine-1,2-dicarboxamide
CID 145286771
butyl (2R,4R)-2-[[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]carbamoyl]-4-methylpyrrolidine-1-carboxylate
CID 159360978
(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[2-fluoro-4-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68806684

Frequently Asked Questions

What is the IUPAC name of (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 158407783) is (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CNC(CCC1CC1)(c1ccnc(C)c1)c1ccc(F)c(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cn2)c1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)Nc2ccc(Cl)s2)C1.CO[C@@H]1C[C@H](C(=O)Nc2cc(C(N)(CCC3CC3)c3ccncc3)ccc2F)N(C(=O)c2ccc3cc[nH]c3c2)C1.NC(CCC1CC1)(c1ccncc1)c1ccc(F)c(NC(=O)[C@H]2C[C@H]3C[C@H]3N2C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is GYXMSNOAIBFAQR-YGRKEOQASA-N. The full InChI is InChI=1S/C32H34FN5O3.C31H36ClFN6O3.C29H30ClFN6O2.C28H31ClFN5O3S/c1-41-25-18-29(38(19-25)31(40)22-5-4-21-9-15-36-27(21)16-22)30(39)37-28-17-24(6-7-26(28)33)32(34,12-8-20-2-3-20)23-10-13-35-14-11-23;1-19-14-22(11-13-35-19)31(34-2,12-10-20-4-5-20)21-6-8-25(33)26(15-21)37-29(40)27-16-24(42-3)18-39(27)30(41)38-28-9-7-23(32)17-36-28;30-21-4-6-26(34-16-21)36-28(39)37-24-13-18(24)14-25(37)27(38)35-23-15-20(3-5-22(23)31)29(32,10-7-17-1-2-17)19-8-11-33-12-9-19;1-38-20-15-23(35(16-20)27(37)34-25-7-6-24(29)39-25)26(36)33-22-14-19(4-5-21(22)30)28(31,11-8-17-2-3-17)18-9-12-32-13-10-18/h4-7,9-11,13-17,20,25,29,36H,2-3,8,12,18-19,34H2,1H3,(H,37,39);6-9,11,13-15,17,20,24,27,34H,4-5,10,12,16,18H2,1-3H3,(H,37,40)(H,36,38,41);3-6,8-9,11-12,15-18,24-25H,1-2,7,10,13-14,32H2,(H,35,38)(H,34,36,39);4-7,9-10,12-14,17,20,23H,2-3,8,11,15-16,31H2,1H3,(H,33,36)(H,34,37)/t25-,29-,32?;24-,27-,31?;18-,24-,25-,29?;20-,23-,28?/m1111/s1.
What are the key properties of (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 2271.93 g/mol, XLogP of 21.34, 36 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5R)-3-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-2-N-(5-chloro-2-pyridinyl)-2-azabicyclo[3.1.0]hexane-2,3-dicarboxamide;(2R,4R)-2-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-N-(5-chlorothiophen-2-yl)-4-methoxypyrrolidine-1,2-dicarboxamide;(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(1H-indole-6-carbonyl)-4-methoxypyrrolidine-2-carboxamide;(2R,4R)-1-N-(5-chloro-2-pyridinyl)-2-N-[5-[3-cyclopropyl-1-(methylamino)-1-(2-methyl-4-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 158407783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).