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

C28H33ClN10O2 — CID 90684088

IUPAC3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCCC3c3cn(C)nn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H33ClN10O2/c1-16-5-7-17(8-6-16)14-39-25-20(32-27(39)38-9-3-4-23(38)22-15-37(2)36-34-22)11-21(26-33-28(40)41-35-26)31-24(25)18-10-19(29)13-30-12-18/h10-13,15-17,23,26,35H,3-9,14H2,1-2H3,(H,33,40)
InChIKeyPXSWBSZFIMOZKZ-UHFFFAOYSA-N
MW577.09 g/mol
LogP4.69
Rot. Bonds6

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684088) has the molecular formula C28H33ClN10O2 and a molecular weight of 577.09 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684088
Molecular FormulaC28H33ClN10O2
Molecular Weight577.09 g/mol
Exact Mass576.25
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(Cn2c(N3CCCC3c3cn(C)nn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H33ClN10O2/c1-16-5-7-17(8-6-16)14-39-25-20(32-27(39)38-9-3-4-23(38)22-15-37(2)36-34-22)11-21(26-33-28(40)41-35-26)31-24(25)18-10-19(29)13-30-12-18/h10-13,15-17,23,26,35H,3-9,14H2,1-2H3,(H,33,40)
InChIKeyPXSWBSZFIMOZKZ-UHFFFAOYSA-N
XLogP4.69
TPSA127.91 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.09
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684088) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CCCC3c3cn(C)nn3)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-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is PXSWBSZFIMOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN10O2/c1-16-5-7-17(8-6-16)14-39-25-20(32-27(39)38-9-3-4-23(38)22-15-37(2)36-34-22)11-21(26-33-28(40)41-35-26)31-24(25)18-10-19(29)13-30-12-18/h10-13,15-17,23,26,35H,3-9,14H2,1-2H3,(H,33,40).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-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-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 577.09 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).