3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

C21H19N7O2 — CID 175790508

IUPAC3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccnc2C(=O)Nc2cn(C3COC3)nc2-c2ccccn2)cn1
InChIInChI=1S/C21H19N7O2/c1-27-10-14(9-24-27)16-5-4-8-23-19(16)21(29)25-18-11-28(15-12-30-13-15)26-20(18)17-6-2-3-7-22-17/h2-11,15H,12-13H2,1H3,(H,25,29)
InChIKeyXCQUSOXKZCSGBF-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.56
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide

3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 175790508) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
PubChem CID175790508
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cccnc2C(=O)Nc2cn(C3COC3)nc2-c2ccccn2)cn1
InChIInChI=1S/C21H19N7O2/c1-27-10-14(9-24-27)16-5-4-8-23-19(16)21(29)25-18-11-28(15-12-30-13-15)26-20(18)17-6-2-3-7-22-17/h2-11,15H,12-13H2,1H3,(H,25,29)
InChIKeyXCQUSOXKZCSGBF-UHFFFAOYSA-N
XLogP2.56
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-3-methyl-6-pyridin-3-ylpyridine-2-carboxamide
CID 175396884
4-methyl-2-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166221947
N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(5-methyl-1H-pyrazol-4-yl)furan-2-carboxamide;N-[1-(3-ethoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide;5-(5-methyl-1H-pyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]furan-2-carboxamide
CID 158122369
N-[1-(oxolan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638589
N-[1-(3-propan-2-yloxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638639
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-3-morpholin-4-yl-6-pyridin-3-ylpyridine-2-carboxamide
CID 175396874
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867
N-[1-[(1S,3S)-3-hydroxycyclopentyl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 122638580
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate
CID 122638728
N-[1-[1-(1-hydroxy-2,2-dimethylpropyl)azetidin-3-yl]-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 135258042
N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 134450331
tert-butyl 3-[4-[[5-(1H-pyrazol-4-yl)furan-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]azetidine-1-carboxylate;formic acid;bis(N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide);5-(1-methylpyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)furan-2-carboxamide
CID 158413605

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide (CID 175790508) is 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is Cn1cc(-c2cccnc2C(=O)Nc2cn(C3COC3)nc2-c2ccccn2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is XCQUSOXKZCSGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-27-10-14(9-24-27)16-5-4-8-23-19(16)21(29)25-18-11-28(15-12-30-13-15)26-20(18)17-6-2-3-7-22-17/h2-11,15H,12-13H2,1H3,(H,25,29).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide?
3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[1-(oxetan-3-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175790508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).