5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one

C29H35ClN6O3 — CID 90235270

IUPAC5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCCOC(c1nc2cc(-c3n[nH]c(=O)o3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1)C1CCCC1
InChIInChI=1S/C29H35ClN6O3/c1-3-38-26(19-6-4-5-7-19)27-33-22-13-23(28-34-35-29(37)39-28)32-24(20-12-21(30)15-31-14-20)25(22)36(27)16-18-10-8-17(2)9-11-18/h12-15,17-19,26H,3-11,16H2,1-2H3,(H,35,37)
InChIKeyGYUWRFCECFASOX-UHFFFAOYSA-N
MW551.09 g/mol
LogP6.58
Rot. Bonds8

About 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one

5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 90235270) has the molecular formula C29H35ClN6O3 and a molecular weight of 551.09 g/mol. Its IUPAC name is 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID90235270
Molecular FormulaC29H35ClN6O3
Molecular Weight551.09 g/mol
Exact Mass550.25
IUPAC Name5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCCOC(c1nc2cc(-c3n[nH]c(=O)o3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1)C1CCCC1
InChIInChI=1S/C29H35ClN6O3/c1-3-38-26(19-6-4-5-7-19)27-33-22-13-23(28-34-35-29(37)39-28)32-24(20-12-21(30)15-31-14-20)25(22)36(27)16-18-10-8-17(2)9-11-18/h12-15,17-19,26H,3-11,16H2,1-2H3,(H,35,37)
InChIKeyGYUWRFCECFASOX-UHFFFAOYSA-N
XLogP6.58
TPSA111.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.09
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one (CID 90235270) is 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one is CCOC(c1nc2cc(-c3n[nH]c(=O)o3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1)C1CCCC1.
What is the InChIKey of 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GYUWRFCECFASOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN6O3/c1-3-38-26(19-6-4-5-7-19)27-33-22-13-23(28-34-35-29(37)39-28)32-24(20-12-21(30)15-31-14-20)25(22)36(27)16-18-10-8-17(2)9-11-18/h12-15,17-19,26H,3-11,16H2,1-2H3,(H,35,37).
What are the key properties of 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one?
5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 551.09 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 90235270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).