3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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

C28H34ClN7O3 — CID 90684081

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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
SMILESCOC1CC2CCC1N2c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C28H34ClN7O3/c1-15-3-5-16(6-4-15)14-35-25-20(32-27(35)36-19-7-8-22(36)23(10-19)38-2)11-21(26-33-28(37)39-34-26)31-24(25)17-9-18(29)13-30-12-17/h9,11-13,15-16,19,22-23,26,34H,3-8,10,14H2,1-2H3,(H,33,37)
InChIKeyOMVWDPPEDHOFBI-UHFFFAOYSA-N
MW552.08 g/mol
LogP4.97
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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-methoxy-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 90684081) has the molecular formula C28H34ClN7O3 and a molecular weight of 552.08 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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-methoxy-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 CID90684081
Molecular FormulaC28H34ClN7O3
Molecular Weight552.08 g/mol
Exact Mass551.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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
SMILESCOC1CC2CCC1N2c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C28H34ClN7O3/c1-15-3-5-16(6-4-15)14-35-25-20(32-27(35)36-19-7-8-22(36)23(10-19)38-2)11-21(26-33-28(37)39-34-26)31-24(25)17-9-18(29)13-30-12-17/h9,11-13,15-16,19,22-23,26,34H,3-8,10,14H2,1-2H3,(H,33,37)
InChIKeyOMVWDPPEDHOFBI-UHFFFAOYSA-N
XLogP4.97
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.08
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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-methoxy-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-methoxy-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 90684081) is 3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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-methoxy-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-methoxy-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 COC1CC2CCC1N2c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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 OMVWDPPEDHOFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O3/c1-15-3-5-16(6-4-15)14-35-25-20(32-27(35)36-19-7-8-22(36)23(10-19)38-2)11-21(26-33-28(37)39-34-26)31-24(25)17-9-18(29)13-30-12-17/h9,11-13,15-16,19,22-23,26,34H,3-8,10,14H2,1-2H3,(H,33,37).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(2-methoxy-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-methoxy-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 552.08 g/mol, XLogP of 4.97, 6 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)-2-(2-methoxy-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 90684081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).