N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

C20H21N5O2 — CID 127026649

IUPACN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C20H21N5O2/c1-24-10-12-25(13-11-24)20(27)14-6-8-15(9-7-14)21-19(26)18-16-4-2-3-5-17(16)22-23-18/h2-9H,10-13H2,1H3,(H,21,26)(H,22,23)
InChIKeyTTXOVMHFFFRVSX-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.20
Rot. Bonds3

About N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide

N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 127026649) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID127026649
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1
InChIInChI=1S/C20H21N5O2/c1-24-10-12-25(13-11-24)20(27)14-6-8-15(9-7-14)21-19(26)18-16-4-2-3-5-17(16)22-23-18/h2-9H,10-13H2,1H3,(H,21,26)(H,22,23)
InChIKeyTTXOVMHFFFRVSX-UHFFFAOYSA-N
XLogP2.20
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide (CID 127026649) is N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide is CN1CCN(C(=O)c2ccc(NC(=O)c3n[nH]c4ccccc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is TTXOVMHFFFRVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-24-10-12-25(13-11-24)20(27)14-6-8-15(9-7-14)21-19(26)18-16-4-2-3-5-17(16)22-23-18/h2-9H,10-13H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide?
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 127026649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).