4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide

C19H22N6O — CID 72885121

IUPAC4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3cccc4cn[nH]c34)CC2)cc(C)n1
InChIInChI=1S/C19H22N6O/c1-13-10-16(11-14(2)21-13)24-6-8-25(9-7-24)19(26)22-17-5-3-4-15-12-20-23-18(15)17/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,22,26)
InChIKeyVGLIBEQPSTZAFL-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.93
Rot. Bonds2

About 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide

4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide (PubChem CID 72885121) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide
PubChem CID72885121
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)Nc3cccc4cn[nH]c34)CC2)cc(C)n1
InChIInChI=1S/C19H22N6O/c1-13-10-16(11-14(2)21-13)24-6-8-25(9-7-24)19(26)22-17-5-3-4-15-12-20-23-18(15)17/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,22,26)
InChIKeyVGLIBEQPSTZAFL-UHFFFAOYSA-N
XLogP2.93
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylphenyl)-N-isoquinolin-5-ylpiperazine-1-carboxamide
CID 10067089
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(1H-indazol-7-yl)piperidine-1-carboxamide
CID 125154869
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
2-(1H-indazol-7-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54868364
4-(3-acetylphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114157
cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95979860
N-(1H-indazol-7-yl)-2-(methylamino)benzamide
CID 61376523
4-(3,5-dimethylphenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113111721
N-(2-methylphenyl)-4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)piperazine-1-carboxamide
CID 53189510
N-(2,5-dimethylphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 3680055
(2S)-2-bromo-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 93266562
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide (CID 72885121) is 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)Nc3cccc4cn[nH]c34)CC2)cc(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide?
The InChIKey is VGLIBEQPSTZAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-10-16(11-14(2)21-13)24-6-8-25(9-7-24)19(26)22-17-5-3-4-15-12-20-23-18(15)17/h3-5,10-12H,6-9H2,1-2H3,(H,20,23)(H,22,26).
What are the key properties of 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide?
4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-pyridinyl)-N-(1H-indazol-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 72885121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).