2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide

C22H25N5O2 — CID 46226352

IUPAC2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C22H25N5O2/c1-26-11-3-5-17(13-26)22(29)24-12-15-7-9-18(10-8-15)27-14-16-4-2-6-19(21(23)28)20(16)25-27/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H2,23,28)(H,24,29)
InChIKeyNWAGWYQOJGTXLT-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.08
Rot. Bonds5

About 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide

2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide (PubChem CID 46226352) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
PubChem CID46226352
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide
SMILESCN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
InChIInChI=1S/C22H25N5O2/c1-26-11-3-5-17(13-26)22(29)24-12-15-7-9-18(10-8-15)27-14-16-4-2-6-19(21(23)28)20(16)25-27/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H2,23,28)(H,24,29)
InChIKeyNWAGWYQOJGTXLT-UHFFFAOYSA-N
XLogP2.08
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Niraparib
CID 24958200
Niraparib Tosylate
CID 78357761
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
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
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
1-Methyl-1H-pyrazolo[3,4-alpha]phenazine-10-carboxylic acid (2-dimethylamino-ethyl)-amide
CID 9946290
N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(1-phenyl-1H-indazol-4-yl)amino]methyl}propyl)benzamide
CID 24769095
Csf1R-IN-1
CID 137333440
N-(2,3-dimethylphenyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16193945

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide (CID 46226352) is 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide is CN1CCCC(C(=O)NCc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.
What is the InChIKey of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
The InChIKey is NWAGWYQOJGTXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-11-3-5-17(13-26)22(29)24-12-15-7-9-18(10-8-15)27-14-16-4-2-6-19(21(23)28)20(16)25-27/h2,4,6-10,14,17H,3,5,11-13H2,1H3,(H2,23,28)(H,24,29).
What are the key properties of 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide?
2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylpiperidine-3-carbonyl)amino]methyl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 46226352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).