4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide

C22H21N7O2 — CID 165415058

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc3ccccc3n2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C22H21N7O2/c1-27-19(12-18(26-27)17-9-8-14-6-3-4-7-16(14)24-17)25-21(30)20-15(13-23-28(20)2)22(31)29-10-5-11-29/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,25,30)
InChIKeyFYYDAPJBMRCSQE-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.47
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide (PubChem CID 165415058) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide
PubChem CID165415058
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc3ccccc3n2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C22H21N7O2/c1-27-19(12-18(26-27)17-9-8-14-6-3-4-7-16(14)24-17)25-21(30)20-15(13-23-28(20)2)22(31)29-10-5-11-29/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,25,30)
InChIKeyFYYDAPJBMRCSQE-UHFFFAOYSA-N
XLogP2.47
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
CID 51033482
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 71288606
4-(azetidine-1-carbonyl)-N-[2-[5-(3-fluorophenyl)-2-phenyl-1,2,4-triazol-3-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288682
4-(azetidine-1-carbonyl)-1-methyl-N-{2-[3-phenyl-1-(pyridin-2-yl)-1H-1,2,4-triazol-5-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 71288719
4-methyl-N-[5-(quinolin-8-ylcarbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl]benzamide
CID 23645985
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377960
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775398
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(6-fluoropyridin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67775852
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776659
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide (CID 165415058) is 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide is Cn1nc(-c2ccc3ccccc3n2)cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is FYYDAPJBMRCSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-27-19(12-18(26-27)17-9-8-14-6-3-4-7-16(14)24-17)25-21(30)20-15(13-23-28(20)2)22(31)29-10-5-11-29/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,25,30).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(1-methyl-3-quinolin-2-ylpyrazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 165415058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).