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

C28H31ClN8O2 — CID 90684100

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(NC(C)c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H31ClN8O2/c1-16-6-8-18(9-7-16)15-37-25-22(34-27(37)32-17(2)21-5-3-4-10-31-21)12-23(26-35-28(38)39-36-26)33-24(25)19-11-20(29)14-30-13-19/h3-5,10-14,16-18,26,36H,6-9,15H2,1-2H3,(H,32,34)(H,35,38)
InChIKeyPIZPBKIEONBJNM-UHFFFAOYSA-N
MW547.06 g/mol
LogP5.78
Rot. Bonds7

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

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684100) has the molecular formula C28H31ClN8O2 and a molecular weight of 547.06 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684100
Molecular FormulaC28H31ClN8O2
Molecular Weight547.06 g/mol
Exact Mass546.23
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(NC(C)c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H31ClN8O2/c1-16-6-8-18(9-7-16)15-37-25-22(34-27(37)32-17(2)21-5-3-4-10-31-21)12-23(26-35-28(38)39-36-26)33-24(25)19-11-20(29)14-30-13-19/h3-5,10-14,16-18,26,36H,6-9,15H2,1-2H3,(H,32,34)(H,35,38)
InChIKeyPIZPBKIEONBJNM-UHFFFAOYSA-N
XLogP5.78
TPSA118.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.06
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)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)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684100) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)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)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(NC(C)c3ccccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is PIZPBKIEONBJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClN8O2/c1-16-6-8-18(9-7-16)15-37-25-22(34-27(37)32-17(2)21-5-3-4-10-31-21)12-23(26-35-28(38)39-36-26)33-24(25)19-11-20(29)14-30-13-19/h3-5,10-14,16-18,26,36H,6-9,15H2,1-2H3,(H,32,34)(H,35,38).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 547.06 g/mol, XLogP of 5.78, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(1-pyridin-2-ylethylamino)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).