6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide

C24H17FN4O — CID 90644659

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(F)c5)cccc4c3)c12
InChIInChI=1S/C24H17FN4O/c25-16-5-2-6-17(13-16)27-24(30)20-8-1-4-14-12-15(10-11-18(14)20)19-7-3-9-21-22(19)23(26)29-28-21/h1-13H,(H,27,30)(H3,26,28,29)
InChIKeyJXQVTLJUJFCATC-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.36
Rot. Bonds3

About 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide (PubChem CID 90644659) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide
PubChem CID90644659
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(F)c5)cccc4c3)c12
InChIInChI=1S/C24H17FN4O/c25-16-5-2-6-17(13-16)27-24(30)20-8-1-4-14-12-15(10-11-18(14)20)19-7-3-9-21-22(19)23(26)29-28-21/h1-13H,(H,27,30)(H3,26,28,29)
InChIKeyJXQVTLJUJFCATC-UHFFFAOYSA-N
XLogP5.36
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
(3-Amino-1h-Indazol-5-Yl)[(2s)-2-(4-Fluorophenyl)piperidin-1-Yl]methanone
CID 118879516
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-(4-fluorophenyl)-1H-indazol-3-yl)butyramide
CID 22319694
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 118726120
1-N-[4-(3-amino-1H-indazol-4-yl)phenyl]-1-N'-(3,4-difluorophenyl)cyclopropane-1,1-dicarboxamide
CID 137658885
3-amino-N-[3-[[(3,4-difluorophenyl)carbamoylamino]methyl]phenyl]-1H-indazole-4-carboxamide
CID 25174496
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
N-[1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25252725
N-[(1S)-1-[3-(3-amino-1H-indazol-6-yl)phenyl]-2-phenylethyl]-4-(aminomethyl)cyclohexane-1-carboxamide
CID 25253019

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide (CID 90644659) is 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(F)c5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
The InChIKey is JXQVTLJUJFCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-16-5-2-6-17(13-16)27-24(30)20-8-1-4-14-12-15(10-11-18(14)20)19-7-3-9-21-22(19)23(26)29-28-21/h1-13H,(H,27,30)(H3,26,28,29).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 5.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).