4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate

C25H29ClN6O3 — CID 122493879

IUPAC4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)cnc21
InChIInChI=1S/C25H29ClN6O3/c1-25(2,3)23(33)35-11-5-4-10-30-21(29-18-12-16(26)13-28-22(18)30)15-31-20-14-27-9-8-19(20)32(24(31)34)17-6-7-17/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3
InChIKeyYQZRRUZVFDPELU-UHFFFAOYSA-N
MW497.00 g/mol
LogP4.35
Rot. Bonds8

About 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate

4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate (PubChem CID 122493879) has the molecular formula C25H29ClN6O3 and a molecular weight of 497.00 g/mol. Its IUPAC name is 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate
PubChem CID122493879
Molecular FormulaC25H29ClN6O3
Molecular Weight497.00 g/mol
Exact Mass496.20
IUPAC Name4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)cnc21
InChIInChI=1S/C25H29ClN6O3/c1-25(2,3)23(33)35-11-5-4-10-30-21(29-18-12-16(26)13-28-22(18)30)15-31-20-14-27-9-8-19(20)32(24(31)34)17-6-7-17/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3
InChIKeyYQZRRUZVFDPELU-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate?
The IUPAC name of 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate (CID 122493879) is 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate.
What is the SMILES notation for 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate?
The canonical SMILES for 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)cnc21.
What is the InChIKey of 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate?
The InChIKey is YQZRRUZVFDPELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O3/c1-25(2,3)23(33)35-11-5-4-10-30-21(29-18-12-16(26)13-28-22(18)30)15-31-20-14-27-9-8-19(20)32(24(31)34)17-6-7-17/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3.
What are the key properties of 4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate?
4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-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-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate is sourced from PubChem (CID 122493879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).