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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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).