N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

C69H69N15O6 — CID 159456537

IUPACN-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1
InChIInChI=1S/3C23H23N5O2/c3*1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3*3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)
InChIKeyLUAWDOFOCYQXIO-UHFFFAOYSA-N
MW1204.41 g/mol
LogP10.32
Rot. Bonds15

About N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 159456537) has the molecular formula C69H69N15O6 and a molecular weight of 1204.41 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID159456537
Molecular FormulaC69H69N15O6
Molecular Weight1204.41 g/mol
Exact Mass1203.56
IUPAC NameN-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1
InChIInChI=1S/3C23H23N5O2/c3*1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3*3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30)
InChIKeyLUAWDOFOCYQXIO-UHFFFAOYSA-N
XLogP10.32
TPSA253.35 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001204.41
LogP ≤ 510.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide 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 N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide (CID 159456537) is N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cnc3ccc(C(C)O)cn23)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is LUAWDOFOCYQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H23N5O2/c3*1-14-3-4-16(23(30)26-19-6-7-19)9-20(14)18-10-25-28(13-18)22-11-24-21-8-5-17(15(2)29)12-27(21)22/h3*3-5,8-13,15,19,29H,6-7H2,1-2H3,(H,26,30).
What are the key properties of N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 1204.41 g/mol, XLogP of 10.32, 15 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[6-(1-hydroxyethyl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 159456537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).