[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone

C21H22N8O — CID 66599808

IUPAC[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
SMILESCc1n[nH]c(C)c1-c1cc(C(=O)c2nc3nc(N4CCNCC4)ccc3[nH]2)ccn1
InChIInChI=1S/C21H22N8O/c1-12-18(13(2)28-27-12)16-11-14(5-6-23-16)19(30)21-24-15-3-4-17(25-20(15)26-21)29-9-7-22-8-10-29/h3-6,11,22H,7-10H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyVZYUNJILORXRQM-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.00
Rot. Bonds4

About [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone

[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone (PubChem CID 66599808) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
PubChem CID66599808
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone
SMILESCc1n[nH]c(C)c1-c1cc(C(=O)c2nc3nc(N4CCNCC4)ccc3[nH]2)ccn1
InChIInChI=1S/C21H22N8O/c1-12-18(13(2)28-27-12)16-11-14(5-6-23-16)19(30)21-24-15-3-4-17(25-20(15)26-21)29-9-7-22-8-10-29/h3-6,11,22H,7-10H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyVZYUNJILORXRQM-UHFFFAOYSA-N
XLogP2.00
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone 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 [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone (CID 66599808) is [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone is Cc1n[nH]c(C)c1-c1cc(C(=O)c2nc3nc(N4CCNCC4)ccc3[nH]2)ccn1.
What is the InChIKey of [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
The InChIKey is VZYUNJILORXRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O/c1-12-18(13(2)28-27-12)16-11-14(5-6-23-16)19(30)21-24-15-3-4-17(25-20(15)26-21)29-9-7-22-8-10-29/h3-6,11,22H,7-10H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone?
[2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone has a molecular weight of 402.46 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1H-pyrazol-4-yl)-4-pyridinyl]-(5-piperazin-1-yl-1H-imidazo[4,5-b]pyridin-2-yl)methanone is sourced from PubChem (CID 66599808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).