(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C28H35ClN8O3 — CID 90684058

IUPAC(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCC(Cn2c(N3CCC[C@@H]3C(=O)N(C)C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H35ClN8O3/c1-16-6-8-17(9-7-16)15-37-24-20(32-27(37)36-10-4-5-22(36)26(38)35(2)3)12-21(25-33-28(39)40-34-25)31-23(24)18-11-19(29)14-30-13-18/h11-14,16-17,22,25,34H,4-10,15H2,1-3H3,(H,33,39)/t16?,17?,22-,25?/m1/s1
InChIKeyHFSHXYXILUDCKX-QBSVGSCYSA-N
MW567.09 g/mol
LogP4.27
Rot. Bonds6

About (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide

(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 90684058) has the molecular formula C28H35ClN8O3 and a molecular weight of 567.09 g/mol. Its IUPAC name is (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID90684058
Molecular FormulaC28H35ClN8O3
Molecular Weight567.09 g/mol
Exact Mass566.25
IUPAC Name(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCC1CCC(Cn2c(N3CCC[C@@H]3C(=O)N(C)C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H35ClN8O3/c1-16-6-8-17(9-7-16)15-37-24-20(32-27(37)36-10-4-5-22(36)26(38)35(2)3)12-21(25-33-28(39)40-34-25)31-23(24)18-11-19(29)14-30-13-18/h11-14,16-17,22,25,34H,4-10,15H2,1-3H3,(H,33,39)/t16?,17?,22-,25?/m1/s1
InChIKeyHFSHXYXILUDCKX-QBSVGSCYSA-N
XLogP4.27
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.09
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 90684058) is (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide is CC1CCC(Cn2c(N3CCC[C@@H]3C(=O)N(C)C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is HFSHXYXILUDCKX-QBSVGSCYSA-N. The full InChI is InChI=1S/C28H35ClN8O3/c1-16-6-8-17(9-7-16)15-37-24-20(32-27(37)36-10-4-5-22(36)26(38)35(2)3)12-21(25-33-28(39)40-34-25)31-23(24)18-11-19(29)14-30-13-18/h11-14,16-17,22,25,34H,4-10,15H2,1-3H3,(H,33,39)/t16?,17?,22-,25?/m1/s1.
What are the key properties of (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 567.09 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 90684058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).