6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide

C24H17FN4O — CID 118331347

IUPAC6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide
SMILESNc1n[nH]c2c(F)ccc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12
InChIInChI=1S/C24H17FN4O/c25-20-12-11-18(21-22(20)28-29-23(21)26)15-9-10-17-14(13-15)5-4-8-19(17)24(30)27-16-6-2-1-3-7-16/h1-13H,(H,27,30)(H3,26,28,29)
InChIKeyDTLAGBDQKLFYQO-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.36
Rot. Bonds3

About 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide

6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide (PubChem CID 118331347) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide
PubChem CID118331347
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide
SMILESNc1n[nH]c2c(F)ccc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12
InChIInChI=1S/C24H17FN4O/c25-20-12-11-18(21-22(20)28-29-23(21)26)15-9-10-17-14(13-15)5-4-8-19(17)24(30)27-16-6-2-1-3-7-16/h1-13H,(H,27,30)(H3,26,28,29)
InChIKeyDTLAGBDQKLFYQO-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

6-(3-amino-1H-indazol-4-yl)-N-(3-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644667
6-(3-amino-1H-indazol-4-yl)-N-(3-nitrophenyl)naphthalene-1-carboxamide
CID 118331335
6-(3-amino-1H-indazol-4-yl)-N-ethylnaphthalene-1-carboxamide
CID 90644671
6-[3-amino-1-[(2S)-2-amino-3-phenylpropanoyl]indazol-4-yl]-N-(4-fluoro-3-methylphenyl)naphthalene-1-carboxamide
CID 176551694
6-(3-amino-2-carbamimidoylphenyl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide
CID 166992732
N-(4-fluorophenyl)-6-hydroxynaphthalene-1-carboxamide
CID 171383627
5-(2,3-difluorophenyl)-N-phenyl-1H-indazole-3-carboxamide
CID 118382349
N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-1H-indole-7-carboxamide
CID 15948107
2-(4-chlorophenyl)-N-phenylbenzamide
CID 102340259
2-fluoro-N-(3-phenyl-1H-indazol-6-yl)benzamide
CID 117073871
1-[4-(3-amino-7-pyridin-3-yl-1H-indazol-4-yl)phenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 66681573
6-[4-(naphthalene-1-carbonylamino)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421908

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide (CID 118331347) is 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide is Nc1n[nH]c2c(F)ccc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide?
The InChIKey is DTLAGBDQKLFYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-20-12-11-18(21-22(20)28-29-23(21)26)15-9-10-17-14(13-15)5-4-8-19(17)24(30)27-16-6-2-1-3-7-16/h1-13H,(H,27,30)(H3,26,28,29).
What are the key properties of 6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide?
6-(3-amino-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-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-7-fluoro-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 118331347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).