N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide

C22H23N7O — CID 89412134

IUPACN-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
SMILESCN1CC(c2ccc3c(C(=O)Nc4cnn(Cc5cccc(N)c5)c4)n[nH]c3c2)C1
InChIInChI=1S/C22H23N7O/c1-28-11-16(12-28)15-5-6-19-20(8-15)26-27-21(19)22(30)25-18-9-24-29(13-18)10-14-3-2-4-17(23)7-14/h2-9,13,16H,10-12,23H2,1H3,(H,25,30)(H,26,27)
InChIKeyFRQFZXWYYPMRJZ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.67
Rot. Bonds5

About N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide

N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide (PubChem CID 89412134) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
PubChem CID89412134
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC NameN-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide
SMILESCN1CC(c2ccc3c(C(=O)Nc4cnn(Cc5cccc(N)c5)c4)n[nH]c3c2)C1
InChIInChI=1S/C22H23N7O/c1-28-11-16(12-28)15-5-6-19-20(8-15)26-27-21(19)22(30)25-18-9-24-29(13-18)10-14-3-2-4-17(23)7-14/h2-9,13,16H,10-12,23H2,1H3,(H,25,30)(H,26,27)
InChIKeyFRQFZXWYYPMRJZ-UHFFFAOYSA-N
XLogP2.67
TPSA104.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-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-aminophenyl)methyl]pyrazol-4-yl]-5-methyl-6-(1H-pyrazol-5-yl)-1H-indazole-3-carboxamide
CID 89412133
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
6-(6-amino-3-pyridinyl)-N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259500
N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259502
6-(1H-pyrazol-4-yl)-N-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71267328
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
N-(1-benzylpyrazol-4-yl)-6-[2-(methylamino)-1,3-thiazol-5-yl]-1H-indazole-3-carboxamide
CID 89412129
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508572
6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 147064875
N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259778

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide (CID 89412134) is N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide is CN1CC(c2ccc3c(C(=O)Nc4cnn(Cc5cccc(N)c5)c4)n[nH]c3c2)C1.
What is the InChIKey of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is FRQFZXWYYPMRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-28-11-16(12-28)15-5-6-19-20(8-15)26-27-21(19)22(30)25-18-9-24-29(13-18)10-14-3-2-4-17(23)7-14/h2-9,13,16H,10-12,23H2,1H3,(H,25,30)(H,26,27).
What are the key properties of N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide?
N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-6-(1-methylazetidin-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89412134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).