1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea

C19H30N6O — CID 22729724

IUPAC1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea
SMILESCc1nc(N)c2nc(C)n(CCCNC(=O)NC3CCCCC3)c2c1C
InChIInChI=1S/C19H30N6O/c1-12-13(2)22-18(20)16-17(12)25(14(3)23-16)11-7-10-21-19(26)24-15-8-5-4-6-9-15/h15H,4-11H2,1-3H3,(H2,20,22)(H2,21,24,26)
InChIKeyQMTUXOJSINPYPW-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.96
Rot. Bonds5

About 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea

1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea (PubChem CID 22729724) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea
PubChem CID22729724
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea
SMILESCc1nc(N)c2nc(C)n(CCCNC(=O)NC3CCCCC3)c2c1C
InChIInChI=1S/C19H30N6O/c1-12-13(2)22-18(20)16-17(12)25(14(3)23-16)11-7-10-21-19(26)24-15-8-5-4-6-9-15/h15H,4-11H2,1-3H3,(H2,20,22)(H2,21,24,26)
InChIKeyQMTUXOJSINPYPW-UHFFFAOYSA-N
XLogP2.96
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea?
The IUPAC name of 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea (CID 22729724) is 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea?
The canonical SMILES for 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea is Cc1nc(N)c2nc(C)n(CCCNC(=O)NC3CCCCC3)c2c1C.
What is the InChIKey of 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea?
The InChIKey is QMTUXOJSINPYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c1-12-13(2)22-18(20)16-17(12)25(14(3)23-16)11-7-10-21-19(26)24-15-8-5-4-6-9-15/h15H,4-11H2,1-3H3,(H2,20,22)(H2,21,24,26).
What are the key properties of 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea?
1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea has a molecular weight of 358.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)propyl]-3-cyclohexylurea is sourced from PubChem (CID 22729724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).