2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide

C20H21N5O2 — CID 46226351

IUPAC2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN(Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1)C(=O)C1CNC1
InChIInChI=1S/C20H21N5O2/c1-24(20(27)15-9-22-10-15)11-13-5-7-16(8-6-13)25-12-14-3-2-4-17(19(21)26)18(14)23-25/h2-8,12,15,22H,9-11H2,1H3,(H2,21,26)
InChIKeyKCNQJKWZLYMXQS-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide

2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 46226351) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide
PubChem CID46226351
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN(Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1)C(=O)C1CNC1
InChIInChI=1S/C20H21N5O2/c1-24(20(27)15-9-22-10-15)11-13-5-7-16(8-6-13)25-12-14-3-2-4-17(19(21)26)18(14)23-25/h2-8,12,15,22H,9-11H2,1H3,(H2,21,26)
InChIKeyKCNQJKWZLYMXQS-UHFFFAOYSA-N
XLogP1.30
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
Csf1R-IN-1
CID 137333440
c-Niraparib
CID 124081212
N-(2,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850351
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850704
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N'-{(Z)-[4-(dimethylamino)phenyl]methylidene}-1H-indole-7-carbohydrazide
CID 5417734
(R)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958199

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide (CID 46226351) is 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide is CN(Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1)C(=O)C1CNC1.
What is the InChIKey of 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is KCNQJKWZLYMXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24(20(27)15-9-22-10-15)11-13-5-7-16(8-6-13)25-12-14-3-2-4-17(19(21)26)18(14)23-25/h2-8,12,15,22H,9-11H2,1H3,(H2,21,26).
What are the key properties of 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide?
2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[azetidine-3-carbonyl(methyl)amino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).