(4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H23N5 — CID 95550380

IUPAC(4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cccc(-n2cc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)cn2)c1
InChIInChI=1S/C20H23N5/c1-14-3-2-4-17(9-14)25-12-15(10-23-25)11-24-8-7-18-19(22-13-21-18)20(24)16-5-6-16/h2-4,9-10,12-13,16,20H,5-8,11H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyLYAJRNMAJIXMCB-FQEVSTJZSA-N
MW333.44 g/mol
LogP3.41
Rot. Bonds4

About (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95550380) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID95550380
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name(4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCc1cccc(-n2cc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)cn2)c1
InChIInChI=1S/C20H23N5/c1-14-3-2-4-17(9-14)25-12-15(10-23-25)11-24-8-7-18-19(22-13-21-18)20(24)16-5-6-16/h2-4,9-10,12-13,16,20H,5-8,11H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyLYAJRNMAJIXMCB-FQEVSTJZSA-N
XLogP3.41
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[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 (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95550380) is (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cc1cccc(-n2cc(CN3CCc4[nH]cnc4[C@@H]3C3CC3)cn2)c1.
What is the InChIKey of (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is LYAJRNMAJIXMCB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N5/c1-14-3-2-4-17(9-14)25-12-15(10-23-25)11-24-8-7-18-19(22-13-21-18)20(24)16-5-6-16/h2-4,9-10,12-13,16,20H,5-8,11H2,1H3,(H,21,22)/t20-/m0/s1.
What are the key properties of (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
(4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 333.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-5-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95550380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).