5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile

C188H246Cl3F3N38O7 — CID 158283964

IUPAC5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile
SMILESCC1(c2ccc(N)cc2)CCN(C2CCCC2)CC1.C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Nc3ccc(C4(C)CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1[C@H](N)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@H]1NCCC[C@H]1NC(=O)OC(C)(C)C.N#Cc1ncc(Cl)nc1Cl.O=C(O)c1ccc(C2CC2)cc1F
InChIInChI=1S/C38H48FN7O2.C38H46FN7O.C29H40N6.C28H39N7.C17H26N2.C12H15ClN4.C11H22N2O2.C10H9FO2.C5HCl2N3/c1-24-32(43-37(48)30-16-11-26(22-31(30)39)25-9-10-25)8-5-19-46(24)33-23-41-34(35(40)47)36(44-33)42-28-14-12-27(13-15-28)38(2)17-20-45(21-18-38)29-6-3-4-7-29;1-25-33(43-37(47)31-16-11-27(22-32(31)39)26-9-10-26)8-5-19-46(25)35-24-41-34(23-40)36(44-35)42-29-14-12-28(13-15-29)38(2)17-20-45(21-18-38)30-6-3-4-7-30;1-21-7-6-16-35(22(21)2)27-20-31-26(19-30)28(33-27)32-24-12-10-23(11-13-24)29(3)14-17-34(18-15-29)25-8-4-5-9-25;1-20-24(30)8-5-15-35(20)26-19-31-25(18-29)27(33-26)32-22-11-9-21(10-12-22)28(2)13-16-34(17-14-28)23-6-3-4-7-23;1-17(14-6-8-15(18)9-7-14)10-12-19(13-11-17)16-4-2-3-5-16;1-8-4-3-5-17(9(8)2)11-7-15-10(6-14)12(13)16-11;1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4;11-9-5-7(6-1-2-6)3-4-8(9)10(12)13;6-4-2-9-3(1-8)5(7)10-4/h11-16,22-25,29,32H,3-10,17-21H2,1-2H3,(H2,40,47)(H,42,44)(H,43,48);11-16,22,24-26,30,33H,3-10,17-21H2,1-2H3,(H,42,44)(H,43,47);10-13,20-22,25H,4-9,14-18H2,1-3H3,(H,32,33);9-12,19-20,23-24H,3-8,13-17,30H2,1-2H3,(H,32,33);6-9,16H,2-5,10-13,18H2,1H3;7-9H,3-5H2,1-2H3;8-9,12H,5-7H2,1-4H3,(H,13,14);3-6H,1-2H2,(H,12,13);2H/t24-,32-;25-,33-;21-,22-;20-,24-;;2*8-,9-;;/m1111.11../s1
InChIKeyGKNUVTMGMRBDBZ-YHIRVFCXSA-N
MW3313.65 g/mol
LogP36.23
Rot. Bonds33

About 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile

5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile (PubChem CID 158283964) has the molecular formula C188H246Cl3F3N38O7 and a molecular weight of 3313.65 g/mol. Its IUPAC name is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile
PubChem CID158283964
Molecular FormulaC188H246Cl3F3N38O7
Molecular Weight3313.65 g/mol
Exact Mass3309.91
IUPAC Name5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile
SMILESCC1(c2ccc(N)cc2)CCN(C2CCCC2)CC1.C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Nc3ccc(C4(C)CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1[C@H](N)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@H]1NCCC[C@H]1NC(=O)OC(C)(C)C.N#Cc1ncc(Cl)nc1Cl.O=C(O)c1ccc(C2CC2)cc1F
InChIInChI=1S/C38H48FN7O2.C38H46FN7O.C29H40N6.C28H39N7.C17H26N2.C12H15ClN4.C11H22N2O2.C10H9FO2.C5HCl2N3/c1-24-32(43-37(48)30-16-11-26(22-31(30)39)25-9-10-25)8-5-19-46(24)33-23-41-34(35(40)47)36(44-33)42-28-14-12-27(13-15-28)38(2)17-20-45(21-18-38)29-6-3-4-7-29;1-25-33(43-37(47)31-16-11-27(22-32(31)39)26-9-10-26)8-5-19-46(25)35-24-41-34(23-40)36(44-35)42-29-14-12-28(13-15-29)38(2)17-20-45(21-18-38)30-6-3-4-7-30;1-21-7-6-16-35(22(21)2)27-20-31-26(19-30)28(33-27)32-24-12-10-23(11-13-24)29(3)14-17-34(18-15-29)25-8-4-5-9-25;1-20-24(30)8-5-15-35(20)26-19-31-25(18-29)27(33-26)32-22-11-9-21(10-12-22)28(2)13-16-34(17-14-28)23-6-3-4-7-23;1-17(14-6-8-15(18)9-7-14)10-12-19(13-11-17)16-4-2-3-5-16;1-8-4-3-5-17(9(8)2)11-7-15-10(6-14)12(13)16-11;1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4;11-9-5-7(6-1-2-6)3-4-8(9)10(12)13;6-4-2-9-3(1-8)5(7)10-4/h11-16,22-25,29,32H,3-10,17-21H2,1-2H3,(H2,40,47)(H,42,44)(H,43,48);11-16,22,24-26,30,33H,3-10,17-21H2,1-2H3,(H,42,44)(H,43,47);10-13,20-22,25H,4-9,14-18H2,1-3H3,(H,32,33);9-12,19-20,23-24H,3-8,13-17,30H2,1-2H3,(H,32,33);6-9,16H,2-5,10-13,18H2,1H3;7-9H,3-5H2,1-2H3;8-9,12H,5-7H2,1-4H3,(H,13,14);3-6H,1-2H2,(H,12,13);2H/t24-,32-;25-,33-;21-,22-;20-,24-;;2*8-,9-;;/m1111.11../s1
InChIKeyGKNUVTMGMRBDBZ-YHIRVFCXSA-N
XLogP36.23
TPSA595.14 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds33
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003313.65
LogP ≤ 536.23
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile?
The IUPAC name of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile (CID 158283964) is 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile?
The canonical SMILES for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile is CC1(c2ccc(N)cc2)CCN(C2CCCC2)CC1.C[C@@H]1CCCN(c2cnc(C#N)c(Cl)n2)[C@@H]1C.C[C@@H]1CCCN(c2cnc(C#N)c(Nc3ccc(C4(C)CCN(C5CCCC5)CC4)cc3)n2)[C@@H]1C.C[C@@H]1[C@H](N)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C#N)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@@H]1[C@H](NC(=O)c2ccc(C3CC3)cc2F)CCCN1c1cnc(C(N)=O)c(Nc2ccc(C3(C)CCN(C4CCCC4)CC3)cc2)n1.C[C@H]1NCCC[C@H]1NC(=O)OC(C)(C)C.N#Cc1ncc(Cl)nc1Cl.O=C(O)c1ccc(C2CC2)cc1F.
What is the InChIKey of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile?
The InChIKey is GKNUVTMGMRBDBZ-YHIRVFCXSA-N. The full InChI is InChI=1S/C38H48FN7O2.C38H46FN7O.C29H40N6.C28H39N7.C17H26N2.C12H15ClN4.C11H22N2O2.C10H9FO2.C5HCl2N3/c1-24-32(43-37(48)30-16-11-26(22-31(30)39)25-9-10-25)8-5-19-46(24)33-23-41-34(35(40)47)36(44-33)42-28-14-12-27(13-15-28)38(2)17-20-45(21-18-38)29-6-3-4-7-29;1-25-33(43-37(47)31-16-11-27(22-32(31)39)26-9-10-26)8-5-19-46(25)35-24-41-34(23-40)36(44-35)42-29-14-12-28(13-15-29)38(2)17-20-45(21-18-38)30-6-3-4-7-30;1-21-7-6-16-35(22(21)2)27-20-31-26(19-30)28(33-27)32-24-12-10-23(11-13-24)29(3)14-17-34(18-15-29)25-8-4-5-9-25;1-20-24(30)8-5-15-35(20)26-19-31-25(18-29)27(33-26)32-22-11-9-21(10-12-22)28(2)13-16-34(17-14-28)23-6-3-4-7-23;1-17(14-6-8-15(18)9-7-14)10-12-19(13-11-17)16-4-2-3-5-16;1-8-4-3-5-17(9(8)2)11-7-15-10(6-14)12(13)16-11;1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4;11-9-5-7(6-1-2-6)3-4-8(9)10(12)13;6-4-2-9-3(1-8)5(7)10-4/h11-16,22-25,29,32H,3-10,17-21H2,1-2H3,(H2,40,47)(H,42,44)(H,43,48);11-16,22,24-26,30,33H,3-10,17-21H2,1-2H3,(H,42,44)(H,43,47);10-13,20-22,25H,4-9,14-18H2,1-3H3,(H,32,33);9-12,19-20,23-24H,3-8,13-17,30H2,1-2H3,(H,32,33);6-9,16H,2-5,10-13,18H2,1H3;7-9H,3-5H2,1-2H3;8-9,12H,5-7H2,1-4H3,(H,13,14);3-6H,1-2H2,(H,12,13);2H/t24-,32-;25-,33-;21-,22-;20-,24-;;2*8-,9-;;/m1111.11../s1.
What are the key properties of 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile?
5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile has a molecular weight of 3313.65 g/mol, XLogP of 36.23, 33 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-3-amino-2-methylpiperidin-1-yl]-3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazine-2-carbonitrile;tert-butyl N-[(2R,3R)-2-methylpiperidin-3-yl]carbamate;3-chloro-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;N-[(2R,3R)-1-[5-cyano-6-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-2-methylpiperidin-3-yl]-4-cyclopropyl-2-fluorobenzamide;4-(1-cyclopentyl-4-methylpiperidin-4-yl)aniline;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-3-[(4-cyclopropyl-2-fluorobenzoyl)amino]-2-methylpiperidin-1-yl]pyrazine-2-carboxamide;3-[4-(1-cyclopentyl-4-methylpiperidin-4-yl)anilino]-5-[(2R,3R)-2,3-dimethylpiperidin-1-yl]pyrazine-2-carbonitrile;4-cyclopropyl-2-fluorobenzoic acid;3,5-dichloropyrazine-2-carbonitrile is sourced from PubChem (CID 158283964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).