N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C28H27ClN6O3 — CID 170080697

IUPACN-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1c(-c2nc3c(o2)CN(C=O)C3)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(C)C3)c1Cl
InChIInChI=1S/C28H27ClN6O3/c1-16-17(6-4-7-18(16)28-32-22-13-35(15-36)14-24(22)38-28)19-8-5-9-20(25(19)29)31-27(37)26-30-21-12-33(2)11-10-23(21)34(26)3/h4-9,15H,10-14H2,1-3H3,(H,31,37)
InChIKeyXXFFLBJJCYILGM-UHFFFAOYSA-N
MW531.02 g/mol
LogP4.42
Rot. Bonds5

About N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 170080697) has the molecular formula C28H27ClN6O3 and a molecular weight of 531.02 g/mol. Its IUPAC name is N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID170080697
Molecular FormulaC28H27ClN6O3
Molecular Weight531.02 g/mol
Exact Mass530.18
IUPAC NameN-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1c(-c2nc3c(o2)CN(C=O)C3)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(C)C3)c1Cl
InChIInChI=1S/C28H27ClN6O3/c1-16-17(6-4-7-18(16)28-32-22-13-35(15-36)14-24(22)38-28)19-8-5-9-20(25(19)29)31-27(37)26-30-21-12-33(2)11-10-23(21)34(26)3/h4-9,15H,10-14H2,1-3H3,(H,31,37)
InChIKeyXXFFLBJJCYILGM-UHFFFAOYSA-N
XLogP4.42
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.02
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-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 N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 170080697) is N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cc1c(-c2nc3c(o2)CN(C=O)C3)cccc1-c1cccc(NC(=O)c2nc3c(n2C)CCN(C)C3)c1Cl.
What is the InChIKey of N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is XXFFLBJJCYILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN6O3/c1-16-17(6-4-7-18(16)28-32-22-13-35(15-36)14-24(22)38-28)19-8-5-9-20(25(19)29)31-27(37)26-30-21-12-33(2)11-10-23(21)34(26)3/h4-9,15H,10-14H2,1-3H3,(H,31,37).
What are the key properties of N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 531.02 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[3-(5-formyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-2-yl)-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 170080697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).