3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine

C24H30N4O3 — CID 135157738

IUPAC3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine
SMILESCCOc1ccc(-c2cc3ncn(C4CC4)c3c(O[C@H](C)[C@@H]3CCNC3)n2)cc1OC
InChIInChI=1S/C24H30N4O3/c1-4-30-21-8-5-16(11-22(21)29-3)19-12-20-23(28(14-26-20)18-6-7-18)24(27-19)31-15(2)17-9-10-25-13-17/h5,8,11-12,14-15,17-18,25H,4,6-7,9-10,13H2,1-3H3/t15-,17-/m1/s1
InChIKeyAMBMPGQIJGLPCS-NVXWUHKLSA-N
MW422.53 g/mol
LogP4.22
Rot. Bonds8

About 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine

3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine (PubChem CID 135157738) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine
PubChem CID135157738
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine
SMILESCCOc1ccc(-c2cc3ncn(C4CC4)c3c(O[C@H](C)[C@@H]3CCNC3)n2)cc1OC
InChIInChI=1S/C24H30N4O3/c1-4-30-21-8-5-16(11-22(21)29-3)19-12-20-23(28(14-26-20)18-6-7-18)24(27-19)31-15(2)17-9-10-25-13-17/h5,8,11-12,14-15,17-18,25H,4,6-7,9-10,13H2,1-3H3/t15-,17-/m1/s1
InChIKeyAMBMPGQIJGLPCS-NVXWUHKLSA-N
XLogP4.22
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine 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 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine?
The IUPAC name of 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine (CID 135157738) is 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine is CCOc1ccc(-c2cc3ncn(C4CC4)c3c(O[C@H](C)[C@@H]3CCNC3)n2)cc1OC.
What is the InChIKey of 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine?
The InChIKey is AMBMPGQIJGLPCS-NVXWUHKLSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-30-21-8-5-16(11-22(21)29-3)19-12-20-23(28(14-26-20)18-6-7-18)24(27-19)31-15(2)17-9-10-25-13-17/h5,8,11-12,14-15,17-18,25H,4,6-7,9-10,13H2,1-3H3/t15-,17-/m1/s1.
What are the key properties of 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine?
3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine has a molecular weight of 422.53 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(4-ethoxy-3-methoxyphenyl)-4-[(1R)-1-[(3R)-pyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridine is sourced from PubChem (CID 135157738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).