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

C25H25N5O — CID 24987624

IUPAC3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)Nc4ccc(-c5ccccc5)cc4)ccc23)CC1
InChIInChI=1S/C25H25N5O/c1-29-13-15-30(16-14-29)24-22-12-9-20(17-23(22)27-28-24)25(31)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,31)(H,27,28)
InChIKeyAVLNCECJEZSSRW-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.23
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide (PubChem CID 24987624) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide
PubChem CID24987624
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide
SMILESCN1CCN(c2n[nH]c3cc(C(=O)Nc4ccc(-c5ccccc5)cc4)ccc23)CC1
InChIInChI=1S/C25H25N5O/c1-29-13-15-30(16-14-29)24-22-12-9-20(17-23(22)27-28-24)25(31)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,31)(H,27,28)
InChIKeyAVLNCECJEZSSRW-UHFFFAOYSA-N
XLogP4.23
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.23
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-(6-(4-aminophenyl)-1H-indazol-3-yl)butyramide
CID 10085818
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
(2'S,3R)-2'-[3-[(E)-2-(4-piperazin-1-ylphenyl)ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486138
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide (CID 24987624) is 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide is CN1CCN(c2n[nH]c3cc(C(=O)Nc4ccc(-c5ccccc5)cc4)ccc23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide?
The InChIKey is AVLNCECJEZSSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-29-13-15-30(16-14-29)24-22-12-9-20(17-23(22)27-28-24)25(31)26-21-10-7-19(8-11-21)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide?
3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 24987624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).