1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea

C21H26N6O — CID 22397364

IUPAC1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NC3CC3c3ccccc3)c2c1C
InChIInChI=1S/C21H26N6O/c1-12-13(2)24-20(22)18-19(12)27(14(3)25-18)10-9-23-21(28)26-17-11-16(17)15-7-5-4-6-8-15/h4-8,16-17H,9-11H2,1-3H3,(H2,22,24)(H2,23,26,28)
InChIKeyXJONGPLNFYQLNZ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea

1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea (PubChem CID 22397364) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea
PubChem CID22397364
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea
SMILESCc1nc(N)c2nc(C)n(CCNC(=O)NC3CC3c3ccccc3)c2c1C
InChIInChI=1S/C21H26N6O/c1-12-13(2)24-20(22)18-19(12)27(14(3)25-18)10-9-23-21(28)26-17-11-16(17)15-7-5-4-6-8-15/h4-8,16-17H,9-11H2,1-3H3,(H2,22,24)(H2,23,26,28)
InChIKeyXJONGPLNFYQLNZ-UHFFFAOYSA-N
XLogP2.79
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea 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 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea (CID 22397364) is 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea is Cc1nc(N)c2nc(C)n(CCNC(=O)NC3CC3c3ccccc3)c2c1C.
What is the InChIKey of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea?
The InChIKey is XJONGPLNFYQLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-12-13(2)24-20(22)18-19(12)27(14(3)25-18)10-9-23-21(28)26-17-11-16(17)15-7-5-4-6-8-15/h4-8,16-17H,9-11H2,1-3H3,(H2,22,24)(H2,23,26,28).
What are the key properties of 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea?
1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea has a molecular weight of 378.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)ethyl]-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 22397364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).