3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C28H28ClFN6O3 — CID 90684190

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(C(O)c3ccccc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H28ClFN6O3/c1-15-6-8-16(9-7-15)14-36-24-21(33-27(36)25(37)19-4-2-3-5-20(19)30)11-22(26-34-28(38)39-35-26)32-23(24)17-10-18(29)13-31-12-17/h2-5,10-13,15-16,25-26,35,37H,6-9,14H2,1H3,(H,34,38)
InChIKeyQVHQMBKZGWTEOG-UHFFFAOYSA-N
MW551.02 g/mol
LogP5.44
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684190) has the molecular formula C28H28ClFN6O3 and a molecular weight of 551.02 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684190
Molecular FormulaC28H28ClFN6O3
Molecular Weight551.02 g/mol
Exact Mass550.19
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(C(O)c3ccccc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H28ClFN6O3/c1-15-6-8-16(9-7-15)14-36-24-21(33-27(36)25(37)19-4-2-3-5-20(19)30)11-22(26-34-28(38)39-35-26)32-23(24)17-10-18(29)13-31-12-17/h2-5,10-13,15-16,25-26,35,37H,6-9,14H2,1H3,(H,34,38)
InChIKeyQVHQMBKZGWTEOG-UHFFFAOYSA-N
XLogP5.44
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.02
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one 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-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684190) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(C(O)c3ccccc3F)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is QVHQMBKZGWTEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN6O3/c1-15-6-8-16(9-7-15)14-36-24-21(33-27(36)25(37)19-4-2-3-5-20(19)30)11-22(26-34-28(38)39-35-26)32-23(24)17-10-18(29)13-31-12-17/h2-5,10-13,15-16,25-26,35,37H,6-9,14H2,1H3,(H,34,38).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 551.02 g/mol, XLogP of 5.44, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2-fluorophenyl)-hydroxymethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).