3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C149H179Cl5N38O13 — CID 160794024

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESC=C(C)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@H](C)C1.C=C(C)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@H](C)C1.CC1CCC(Cn2c(N3CCN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@H](C)CN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCOC(c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1)C1CCCC1
InChIInChI=1S/C31H37ClN8O3.C30H35ClN8O3.C30H37ClN8O2.C29H35ClN8O2.C29H35ClN6O3/c1-17-4-6-20(7-5-17)16-39-27-24(35-30(39)40-18(2)14-38(15-19(40)3)29(41)21-8-9-21)11-25(28-36-31(42)43-37-28)34-26(27)22-10-23(32)13-33-12-22;1-17-3-5-19(6-4-17)16-39-26-23(34-29(39)38-10-9-37(15-18(38)2)28(40)20-7-8-20)12-24(27-35-30(41)42-36-27)33-25(26)21-11-22(31)14-32-13-21;1-17(2)37-14-19(4)39(20(5)15-37)29-34-24-11-25(28-35-30(40)41-36-28)33-26(22-10-23(31)13-32-12-22)27(24)38(29)16-21-8-6-18(3)7-9-21;1-17(2)36-9-10-37(19(4)15-36)28-33-23-12-24(27-34-29(39)40-35-27)32-25(21-11-22(30)14-31-13-21)26(23)38(28)16-20-7-5-18(3)6-8-20;1-3-38-26(19-6-4-5-7-19)28-33-22-13-23(27-34-29(37)39-35-27)32-24(20-12-21(30)15-31-14-20)25(22)36(28)16-18-10-8-17(2)9-11-18/h10-13,17-21H,4-9,14-16H2,1-3H3,(H,36,37,42);11-14,17-20H,3-10,15-16H2,1-2H3,(H,35,36,41);10-13,18-21H,1,6-9,14-16H2,2-5H3,(H,35,36,40);11-14,18-20H,1,5-10,15-16H2,2-4H3,(H,34,35,39);12-15,17-19,26H,3-11,16H2,1-2H3,(H,34,35,37)/t17?,18-,19-,20?;17?,18-,19?;18?,19-,20-,21?;18?,19-,20?;/m1111./s1
InChIKeySCEUXRILSORJKD-SVPNBGFCSA-N
MW2887.59 g/mol
LogP27.61
Rot. Bonds32

About 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 160794024) has the molecular formula C149H179Cl5N38O13 and a molecular weight of 2887.59 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID160794024
Molecular FormulaC149H179Cl5N38O13
Molecular Weight2887.59 g/mol
Exact Mass2883.30
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESC=C(C)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@H](C)C1.C=C(C)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@H](C)C1.CC1CCC(Cn2c(N3CCN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@H](C)CN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCOC(c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1)C1CCCC1
InChIInChI=1S/C31H37ClN8O3.C30H35ClN8O3.C30H37ClN8O2.C29H35ClN8O2.C29H35ClN6O3/c1-17-4-6-20(7-5-17)16-39-27-24(35-30(39)40-18(2)14-38(15-19(40)3)29(41)21-8-9-21)11-25(28-36-31(42)43-37-28)34-26(27)22-10-23(32)13-33-12-22;1-17-3-5-19(6-4-17)16-39-26-23(34-29(39)38-10-9-37(15-18(38)2)28(40)20-7-8-20)12-24(27-35-30(41)42-36-27)33-25(26)21-11-22(31)14-32-13-21;1-17(2)37-14-19(4)39(20(5)15-37)29-34-24-11-25(28-35-30(40)41-36-28)33-26(22-10-23(31)13-32-12-22)27(24)38(29)16-21-8-6-18(3)7-9-21;1-17(2)36-9-10-37(19(4)15-36)28-33-23-12-24(27-34-29(39)40-35-27)32-25(21-11-22(30)14-31-13-21)26(23)38(28)16-20-7-5-18(3)6-8-20;1-3-38-26(19-6-4-5-7-19)28-33-22-13-23(27-34-29(37)39-35-27)32-24(20-12-21(30)15-31-14-20)25(22)36(28)16-18-10-8-17(2)9-11-18/h10-13,17-21H,4-9,14-16H2,1-3H3,(H,36,37,42);11-14,17-20H,3-10,15-16H2,1-2H3,(H,35,36,41);10-13,18-21H,1,6-9,14-16H2,2-5H3,(H,35,36,40);11-14,18-20H,1,5-10,15-16H2,2-4H3,(H,34,35,39);12-15,17-19,26H,3-11,16H2,1-2H3,(H,34,35,37)/t17?,18-,19-,20?;17?,18-,19?;18?,19-,20-,21?;18?,19-,20?;/m1111./s1
InChIKeySCEUXRILSORJKD-SVPNBGFCSA-N
XLogP27.61
TPSA581.74 Ų
H-Bond Donors5
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002887.59
LogP ≤ 527.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1044

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 160794024) is 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is C=C(C)N1CCN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@H](C)C1.C=C(C)N1C[C@@H](C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)[C@H](C)C1.CC1CCC(Cn2c(N3CCN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@H](C)CN(C(=O)C4CC4)C[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CCOC(c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1)C1CCCC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is SCEUXRILSORJKD-SVPNBGFCSA-N. The full InChI is InChI=1S/C31H37ClN8O3.C30H35ClN8O3.C30H37ClN8O2.C29H35ClN8O2.C29H35ClN6O3/c1-17-4-6-20(7-5-17)16-39-27-24(35-30(39)40-18(2)14-38(15-19(40)3)29(41)21-8-9-21)11-25(28-36-31(42)43-37-28)34-26(27)22-10-23(32)13-33-12-22;1-17-3-5-19(6-4-17)16-39-26-23(34-29(39)38-10-9-37(15-18(38)2)28(40)20-7-8-20)12-24(27-35-30(41)42-36-27)33-25(26)21-11-22(31)14-32-13-21;1-17(2)37-14-19(4)39(20(5)15-37)29-34-24-11-25(28-35-30(40)41-36-28)33-26(22-10-23(31)13-32-12-22)27(24)38(29)16-21-8-6-18(3)7-9-21;1-17(2)36-9-10-37(19(4)15-36)28-33-23-12-24(27-34-29(39)40-35-27)32-25(21-11-22(30)14-31-13-21)26(23)38(28)16-20-7-5-18(3)6-8-20;1-3-38-26(19-6-4-5-7-19)28-33-22-13-23(27-34-29(37)39-35-27)32-24(20-12-21(30)15-31-14-20)25(22)36(28)16-18-10-8-17(2)9-11-18/h10-13,17-21H,4-9,14-16H2,1-3H3,(H,36,37,42);11-14,17-20H,3-10,15-16H2,1-2H3,(H,35,36,41);10-13,18-21H,1,6-9,14-16H2,2-5H3,(H,35,36,40);11-14,18-20H,1,5-10,15-16H2,2-4H3,(H,34,35,39);12-15,17-19,26H,3-11,16H2,1-2H3,(H,34,35,37)/t17?,18-,19-,20?;17?,18-,19?;18?,19-,20-,21?;18?,19-,20?;/m1111./s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 2887.59 g/mol, XLogP of 27.61, 32 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-4-(cyclopropanecarbonyl)-2-methylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethyl-4-prop-1-en-2-ylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methyl-4-prop-1-en-2-ylpiperazin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 160794024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).