N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide

C20H23N5O — CID 24987271

IUPACN-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)NCc4ccccc4)ccc23)CC1
InChIInChI=1S/C20H23N5O/c1-24-9-11-25(12-10-24)19-17-8-7-16(13-18(17)22-23-19)20(26)21-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,26)(H,22,23)
InChIKeyATTPQPXRFIQRLM-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.24
Rot. Bonds4

About N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide

N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide (PubChem CID 24987271) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide
PubChem CID24987271
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)NCc4ccccc4)ccc23)CC1
InChIInChI=1S/C20H23N5O/c1-24-9-11-25(12-10-24)19-17-8-7-16(13-18(17)22-23-19)20(26)21-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,26)(H,22,23)
InChIKeyATTPQPXRFIQRLM-UHFFFAOYSA-N
XLogP2.24
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Kw-2449
CID 11427553
N-(6-phenyl-1H-indazol-3-yl)butyramide
CID 10085013
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 70690444
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
N-(6-benzyl-1H-indazol-3-yl)butyramide
CID 10266409
7-(4-Methylpiperazin-1-Yl)-4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-(Propan-2-Yl)phthalazin-1(2h)-One
CID 11545405
N-(6-phenethyl-1H-indazol-3-yl)butyramide
CID 22319484
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-[1-[4-(3-amino-1H-indazol-6-yl)-6-oxo-1H-pyridin-2-yl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 11496743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide?
The IUPAC name of N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide (CID 24987271) is N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide is CN1CCN(c2n[nH]c3cc(C(=O)NCc4ccccc4)ccc23)CC1.
What is the InChIKey of N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide?
The InChIKey is ATTPQPXRFIQRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-9-11-25(12-10-24)19-17-8-7-16(13-18(17)22-23-19)20(26)21-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide?
N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methylpiperazin-1-yl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 24987271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).