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;methane

C32H41ClN8O3 — CID 160649165

IUPAC3-[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;methane
SMILESC.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
InChIInChI=1S/C31H37ClN8O3.CH4/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;/h10-13,17-21H,4-9,14-16H2,1-3H3,(H,36,37,42);1H4/t17?,18-,19-,20?;/m1./s1
InChIKeyRKEMDRMWDWKCGD-PHIFJMQNSA-N
MW621.19 g/mol
LogP5.79
Rot. Bonds6

About 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;methane

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;methane (PubChem CID 160649165) has the molecular formula C32H41ClN8O3 and a molecular weight of 621.19 g/mol. Its IUPAC name is 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;methane.

Molecular Properties

Compound Name3-[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;methane
PubChem CID160649165
Molecular FormulaC32H41ClN8O3
Molecular Weight621.19 g/mol
Exact Mass620.30
IUPAC Name3-[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;methane
SMILESC.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
InChIInChI=1S/C31H37ClN8O3.CH4/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;/h10-13,17-21H,4-9,14-16H2,1-3H3,(H,36,37,42);1H4/t17?,18-,19-,20?;/m1./s1
InChIKeyRKEMDRMWDWKCGD-PHIFJMQNSA-N
XLogP5.79
TPSA126.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.19
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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;methane?
The IUPAC name of 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;methane (CID 160649165) is 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;methane.
What is the SMILES notation for 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;methane?
The canonical SMILES for 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;methane is C.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.
What is the InChIKey of 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;methane?
The InChIKey is RKEMDRMWDWKCGD-PHIFJMQNSA-N. The full InChI is InChI=1S/C31H37ClN8O3.CH4/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;/h10-13,17-21H,4-9,14-16H2,1-3H3,(H,36,37,42);1H4/t17?,18-,19-,20?;/m1./s1.
What are the key properties of 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;methane?
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;methane has a molecular weight of 621.19 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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;methane is sourced from PubChem (CID 160649165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).