2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide

C20H21N5O2 — CID 67339997

IUPAC2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
InChIInChI=1S/C20H21N5O2/c1-23-9-11-24(12-10-23)20(27)14-5-7-16(8-6-14)25-13-15-3-2-4-17(19(21)26)18(15)22-25/h2-8,13H,9-12H2,1H3,(H2,21,26)
InChIKeyNJFFSVFAAVXSJV-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.51
Rot. Bonds3

About 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide

2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide (PubChem CID 67339997) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide
PubChem CID67339997
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
InChIInChI=1S/C20H21N5O2/c1-23-9-11-24(12-10-23)20(27)14-5-7-16(8-6-14)25-13-15-3-2-4-17(19(21)26)18(15)22-25/h2-8,13H,9-12H2,1H3,(H2,21,26)
InChIKeyNJFFSVFAAVXSJV-UHFFFAOYSA-N
XLogP1.51
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetate
CID 67339996
2-[3-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]indazole-7-carboxamide
CID 69181909
2-[4-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171932634
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
2-[4-(piperidin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide
CID 67341288
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride
CID 173064640
2-[4-[(3S)-1-iodopiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 166999995
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-(2,2-dimethyl-1,3-benzodioxol-5-yl)indazole-7-carboxamide
CID 118017954
2-[4-[(1-ethylpiperidine-2-carbonyl)amino]phenyl]indazole-7-carboxamide
CID 87362352
tert-butyl 6-[4-(7-carbamoylindazol-2-yl)phenyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 118017985
2-[4-[(3S)-2,2,4,4,5,5,6,6-octadeuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588406

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide (CID 67339997) is 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide is CN1CCN(C(=O)c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide?
The InChIKey is NJFFSVFAAVXSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-23-9-11-24(12-10-23)20(27)14-5-7-16(8-6-14)25-13-15-3-2-4-17(19(21)26)18(15)22-25/h2-8,13H,9-12H2,1H3,(H2,21,26).
What are the key properties of 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide?
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperazine-1-carbonyl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 67339997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).