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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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).