3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C29H38ClN7O3 — CID 90684082

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
InChIInChI=1S/C29H38ClN7O3/c1-16(2)24-10-21(39-4)15-36(24)28-33-22-11-23(27-34-29(38)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)14-18-7-5-17(3)6-8-18/h9,11-13,16-18,21,24,27,35H,5-8,10,14-15H2,1-4H3,(H,34,38)/t17?,18?,21-,24+,27?/m1/s1
InChIKeyYRVYSRPQXDRBDS-HDBMJCBASA-N
MW568.12 g/mol
LogP5.47
Rot. Bonds7

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684082) has the molecular formula C29H38ClN7O3 and a molecular weight of 568.12 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684082
Molecular FormulaC29H38ClN7O3
Molecular Weight568.12 g/mol
Exact Mass567.27
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
InChIInChI=1S/C29H38ClN7O3/c1-16(2)24-10-21(39-4)15-36(24)28-33-22-11-23(27-34-29(38)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)14-18-7-5-17(3)6-8-18/h9,11-13,16-18,21,24,27,35H,5-8,10,14-15H2,1-4H3,(H,34,38)/t17?,18?,21-,24+,27?/m1/s1
InChIKeyYRVYSRPQXDRBDS-HDBMJCBASA-N
XLogP5.47
TPSA106.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.12
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one 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 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684082) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CO[C@@H]1C[C@@H](C(C)C)N(c2nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is YRVYSRPQXDRBDS-HDBMJCBASA-N. The full InChI is InChI=1S/C29H38ClN7O3/c1-16(2)24-10-21(39-4)15-36(24)28-33-22-11-23(27-34-29(38)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)14-18-7-5-17(3)6-8-18/h9,11-13,16-18,21,24,27,35H,5-8,10,14-15H2,1-4H3,(H,34,38)/t17?,18?,21-,24+,27?/m1/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 568.12 g/mol, XLogP of 5.47, 7 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-[(2S,4R)-4-methoxy-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).