4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate

C25H29ClN6O3 — CID 57378649

IUPAC4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C25H29ClN6O3/c1-25(2,3)23(33)35-13-5-4-12-30-18-8-9-20(26)28-22(18)29-21(30)15-31-19-14-27-11-10-17(19)32(24(31)34)16-6-7-16/h8-11,14,16H,4-7,12-13,15H2,1-3H3
InChIKeyKTCLFCOMWZHVFA-UHFFFAOYSA-N
MW497.00 g/mol
LogP4.35
Rot. Bonds8

About 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate

4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate (PubChem CID 57378649) has the molecular formula C25H29ClN6O3 and a molecular weight of 497.00 g/mol. Its IUPAC name is 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate
PubChem CID57378649
Molecular FormulaC25H29ClN6O3
Molecular Weight497.00 g/mol
Exact Mass496.20
IUPAC Name4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21
InChIInChI=1S/C25H29ClN6O3/c1-25(2,3)23(33)35-13-5-4-12-30-18-8-9-20(26)28-22(18)29-21(30)15-31-19-14-27-11-10-17(19)32(24(31)34)16-6-7-16/h8-11,14,16H,4-7,12-13,15H2,1-3H3
InChIKeyKTCLFCOMWZHVFA-UHFFFAOYSA-N
XLogP4.35
TPSA96.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate 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 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate?
The IUPAC name of 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate (CID 57378649) is 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate.
What is the SMILES notation for 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate?
The canonical SMILES for 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.
What is the InChIKey of 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate?
The InChIKey is KTCLFCOMWZHVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O3/c1-25(2,3)23(33)35-13-5-4-12-30-18-8-9-20(26)28-22(18)29-21(30)15-31-19-14-27-11-10-17(19)32(24(31)34)16-6-7-16/h8-11,14,16H,4-7,12-13,15H2,1-3H3.
What are the key properties of 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate?
4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate has a molecular weight of 497.00 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butyl 2,2-dimethylpropanoate is sourced from PubChem (CID 57378649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).