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

C31H37ClN8O3 — CID 90684060

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCCc1noc(C)c1C1CCCN1c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C31H37ClN8O3/c1-4-22-26(18(3)42-37-22)25-6-5-11-39(25)30-35-23-13-24(29-36-31(41)43-38-29)34-27(20-12-21(32)15-33-14-20)28(23)40(30)16-19-9-7-17(2)8-10-19/h12-15,17,19,25,29,38H,4-11,16H2,1-3H3,(H,36,41)
InChIKeyFCBBQCCVRZXEBW-UHFFFAOYSA-N
MW605.14 g/mol
LogP6.42
Rot. Bonds7

About 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684060) has the molecular formula C31H37ClN8O3 and a molecular weight of 605.14 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684060
Molecular FormulaC31H37ClN8O3
Molecular Weight605.14 g/mol
Exact Mass604.27
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCCc1noc(C)c1C1CCCN1c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
InChIInChI=1S/C31H37ClN8O3/c1-4-22-26(18(3)42-37-22)25-6-5-11-39(25)30-35-23-13-24(29-36-31(41)43-38-29)34-27(20-12-21(32)15-33-14-20)28(23)40(30)16-19-9-7-17(2)8-10-19/h12-15,17,19,25,29,38H,4-11,16H2,1-3H3,(H,36,41)
InChIKeyFCBBQCCVRZXEBW-UHFFFAOYSA-N
XLogP6.42
TPSA123.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.14
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684060) is 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CCc1noc(C)c1C1CCCN1c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is FCBBQCCVRZXEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37ClN8O3/c1-4-22-26(18(3)42-37-22)25-6-5-11-39(25)30-35-23-13-24(29-36-31(41)43-38-29)34-27(20-12-21(32)15-33-14-20)28(23)40(30)16-19-9-7-17(2)8-10-19/h12-15,17,19,25,29,38H,4-11,16H2,1-3H3,(H,36,41).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-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-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 605.14 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).