3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C27H32ClN7O3 — CID 90684110

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3C4CCC3C(O)C4)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C27H32ClN7O3/c1-14-2-4-15(5-3-14)13-34-24-19(31-26(34)35-18-6-7-21(35)22(36)9-18)10-20(25-32-27(37)38-33-25)30-23(24)16-8-17(28)12-29-11-16/h8,10-12,14-15,18,21-22,25,33,36H,2-7,9,13H2,1H3,(H,32,37)
InChIKeyFQRPVZQLLWVPNP-UHFFFAOYSA-N
MW538.05 g/mol
LogP4.32
Rot. Bonds5

About 3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684110) has the molecular formula C27H32ClN7O3 and a molecular weight of 538.05 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684110
Molecular FormulaC27H32ClN7O3
Molecular Weight538.05 g/mol
Exact Mass537.23
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3C4CCC3C(O)C4)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C27H32ClN7O3/c1-14-2-4-15(5-3-14)13-34-24-19(31-26(34)35-18-6-7-21(35)22(36)9-18)10-20(25-32-27(37)38-33-25)30-23(24)16-8-17(28)12-29-11-16/h8,10-12,14-15,18,21-22,25,33,36H,2-7,9,13H2,1H3,(H,32,37)
InChIKeyFQRPVZQLLWVPNP-UHFFFAOYSA-N
XLogP4.32
TPSA117.43 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.05
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684110) is 3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3C4CCC3C(O)C4)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is FQRPVZQLLWVPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN7O3/c1-14-2-4-15(5-3-14)13-34-24-19(31-26(34)35-18-6-7-21(35)22(36)9-18)10-20(25-32-27(37)38-33-25)30-23(24)16-8-17(28)12-29-11-16/h8,10-12,14-15,18,21-22,25,33,36H,2-7,9,13H2,1H3,(H,32,37).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-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-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 538.05 g/mol, XLogP of 4.32, 5 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)-2-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).