6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide

C24H16F2N4O — CID 90644661

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)cccc4c3)c12
InChIInChI=1S/C24H16F2N4O/c25-15-8-10-20(19(26)12-15)28-24(31)18-5-1-3-13-11-14(7-9-16(13)18)17-4-2-6-21-22(17)23(27)30-29-21/h1-12H,(H,28,31)(H3,27,29,30)
InChIKeyFIYBQKQWLORIEQ-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.50
Rot. Bonds3

About 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide (PubChem CID 90644661) has the molecular formula C24H16F2N4O and a molecular weight of 414.42 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide
PubChem CID90644661
Molecular FormulaC24H16F2N4O
Molecular Weight414.42 g/mol
Exact Mass414.13
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)cccc4c3)c12
InChIInChI=1S/C24H16F2N4O/c25-15-8-10-20(19(26)12-15)28-24(31)18-5-1-3-13-11-14(7-9-16(13)18)17-4-2-6-21-22(17)23(27)30-29-21/h1-12H,(H,28,31)(H3,27,29,30)
InChIKeyFIYBQKQWLORIEQ-UHFFFAOYSA-N
XLogP5.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.50
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
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
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide (CID 90644661) is 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5ccc(F)cc5F)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide?
The InChIKey is FIYBQKQWLORIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O/c25-15-8-10-20(19(26)12-15)28-24(31)18-5-1-3-13-11-14(7-9-16(13)18)17-4-2-6-21-22(17)23(27)30-29-21/h1-12H,(H,28,31)(H3,27,29,30).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(2,4-difluorophenyl)naphthalene-1-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 5.50, 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-(2,4-difluorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).