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

C27H34ClN7O3 — CID 90684066

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCOC(C)C3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C27H34ClN7O3/c1-15-4-6-18(7-5-15)14-35-24-21(31-26(35)34-8-9-37-17(3)16(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19/h10-13,15-18,25,33H,4-9,14H2,1-3H3,(H,32,36)
InChIKeyDEEACBXJMYVOQR-UHFFFAOYSA-N
MW540.07 g/mol
LogP4.83
Rot. Bonds5

About 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684066) has the molecular formula C27H34ClN7O3 and a molecular weight of 540.07 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684066
Molecular FormulaC27H34ClN7O3
Molecular Weight540.07 g/mol
Exact Mass539.24
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCOC(C)C3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C27H34ClN7O3/c1-15-4-6-18(7-5-15)14-35-24-21(31-26(35)34-8-9-37-17(3)16(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19/h10-13,15-18,25,33H,4-9,14H2,1-3H3,(H,32,36)
InChIKeyDEEACBXJMYVOQR-UHFFFAOYSA-N
XLogP4.83
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.07
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684066) is 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCOC(C)C3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is DEEACBXJMYVOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN7O3/c1-15-4-6-18(7-5-15)14-35-24-21(31-26(35)34-8-9-37-17(3)16(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19/h10-13,15-18,25,33H,4-9,14H2,1-3H3,(H,32,36).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylmorpholin-4-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-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 540.07 g/mol, XLogP of 4.83, 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)-2-(2,3-dimethylmorpholin-4-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).