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

C28H29ClFN7O2 — CID 90684203

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(C(C)(F)c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H29ClFN7O2/c1-16-6-8-17(9-7-16)15-37-24-20(34-26(37)28(2,30)22-5-3-4-10-32-22)12-21(25-35-27(38)39-36-25)33-23(24)18-11-19(29)14-31-13-18/h3-5,10-14,16-17,25,36H,6-9,15H2,1-2H3,(H,35,38)
InChIKeyJTCHJJCGYDDCBR-UHFFFAOYSA-N
MW550.04 g/mol
LogP5.84
Rot. Bonds6

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

3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684203) has the molecular formula C28H29ClFN7O2 and a molecular weight of 550.04 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-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-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684203
Molecular FormulaC28H29ClFN7O2
Molecular Weight550.04 g/mol
Exact Mass549.21
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(C(C)(F)c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H29ClFN7O2/c1-16-6-8-17(9-7-16)15-37-24-20(34-26(37)28(2,30)22-5-3-4-10-32-22)12-21(25-35-27(38)39-36-25)33-23(24)18-11-19(29)14-31-13-18/h3-5,10-14,16-17,25,36H,6-9,15H2,1-2H3,(H,35,38)
InChIKeyJTCHJJCGYDDCBR-UHFFFAOYSA-N
XLogP5.84
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.04
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-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-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684203) is 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-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-(1-fluoro-1-pyridin-2-ylethyl)-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-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(C(C)(F)c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is JTCHJJCGYDDCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN7O2/c1-16-6-8-17(9-7-16)15-37-24-20(34-26(37)28(2,30)22-5-3-4-10-32-22)12-21(25-35-27(38)39-36-25)33-23(24)18-11-19(29)14-31-13-18/h3-5,10-14,16-17,25,36H,6-9,15H2,1-2H3,(H,35,38).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 550.04 g/mol, XLogP of 5.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-(1-fluoro-1-pyridin-2-ylethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).