3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C28H34ClN7O3 — CID 90684067

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCCC34CCOC4)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H34ClN7O3/c1-17-3-5-18(6-4-17)15-35-24-21(32-26(35)36-9-2-7-28(36)8-10-38-16-28)12-22(25-33-27(37)39-34-25)31-23(24)19-11-20(29)14-30-13-19/h11-14,17-18,25,34H,2-10,15-16H2,1H3,(H,33,37)
InChIKeyJLGDFXHSHNBSSX-UHFFFAOYSA-N
MW552.08 g/mol
LogP4.98
Rot. Bonds5

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684067) has the molecular formula C28H34ClN7O3 and a molecular weight of 552.08 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684067
Molecular FormulaC28H34ClN7O3
Molecular Weight552.08 g/mol
Exact Mass551.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCCC34CCOC4)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H34ClN7O3/c1-17-3-5-18(6-4-17)15-35-24-21(32-26(35)36-9-2-7-28(36)8-10-38-16-28)12-22(25-33-27(37)39-34-25)31-23(24)19-11-20(29)14-30-13-19/h11-14,17-18,25,34H,2-10,15-16H2,1H3,(H,33,37)
InChIKeyJLGDFXHSHNBSSX-UHFFFAOYSA-N
XLogP4.98
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.08
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684067) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCCC34CCOC4)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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is JLGDFXHSHNBSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O3/c1-17-3-5-18(6-4-17)15-35-24-21(32-26(35)36-9-2-7-28(36)8-10-38-16-28)12-22(25-33-27(37)39-34-25)31-23(24)19-11-20(29)14-30-13-19/h11-14,17-18,25,34H,2-10,15-16H2,1H3,(H,33,37).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 552.08 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 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-(7-oxa-1-azaspiro[4.4]nonan-1-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).