1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea

C24H38N6O2 — CID 69193430

IUPAC1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea
SMILESCc1nc(N)c2nc(CCC3CC3)n(CCOCCN(C(N)=O)C3CCCCC3)c2c1C
InChIInChI=1S/C24H38N6O2/c1-16-17(2)27-23(25)21-22(16)30(20(28-21)11-10-18-8-9-18)13-15-32-14-12-29(24(26)31)19-6-4-3-5-7-19/h18-19H,3-15H2,1-2H3,(H2,25,27)(H2,26,31)
InChIKeyOPJJUNWWTDCTTM-UHFFFAOYSA-N
MW442.61 g/mol
LogP3.70
Rot. Bonds10

About 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea

1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea (PubChem CID 69193430) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea
PubChem CID69193430
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea
SMILESCc1nc(N)c2nc(CCC3CC3)n(CCOCCN(C(N)=O)C3CCCCC3)c2c1C
InChIInChI=1S/C24H38N6O2/c1-16-17(2)27-23(25)21-22(16)30(20(28-21)11-10-18-8-9-18)13-15-32-14-12-29(24(26)31)19-6-4-3-5-7-19/h18-19H,3-15H2,1-2H3,(H2,25,27)(H2,26,31)
InChIKeyOPJJUNWWTDCTTM-UHFFFAOYSA-N
XLogP3.70
TPSA112.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea?
The IUPAC name of 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea (CID 69193430) is 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea.
What is the SMILES notation for 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea?
The canonical SMILES for 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea is Cc1nc(N)c2nc(CCC3CC3)n(CCOCCN(C(N)=O)C3CCCCC3)c2c1C.
What is the InChIKey of 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea?
The InChIKey is OPJJUNWWTDCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-16-17(2)27-23(25)21-22(16)30(20(28-21)11-10-18-8-9-18)13-15-32-14-12-29(24(26)31)19-6-4-3-5-7-19/h18-19H,3-15H2,1-2H3,(H2,25,27)(H2,26,31).
What are the key properties of 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea?
1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea has a molecular weight of 442.61 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[4-amino-2-(2-cyclopropylethyl)-6,7-dimethylimidazo[4,5-c]pyridin-1-yl]ethoxy]ethyl]-1-cyclohexylurea is sourced from PubChem (CID 69193430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).