6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide

C25H19FN4O — CID 90644664

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c(F)c1
InChIInChI=1S/C25H19FN4O/c1-14-8-11-21(20(26)12-14)28-25(31)19-6-2-4-15-13-16(9-10-17(15)19)18-5-3-7-22-23(18)24(27)30-29-22/h2-13H,1H3,(H,28,31)(H3,27,29,30)
InChIKeySGIYXSFINJQNOJ-UHFFFAOYSA-N
MW410.45 g/mol
LogP5.67
Rot. Bonds3

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

6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide (PubChem CID 90644664) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
PubChem CID90644664
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
SMILESCc1ccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c(F)c1
InChIInChI=1S/C25H19FN4O/c1-14-8-11-21(20(26)12-14)28-25(31)19-6-2-4-15-13-16(9-10-17(15)19)18-5-3-7-22-23(18)24(27)30-29-22/h2-13H,1H3,(H,28,31)(H3,27,29,30)
InChIKeySGIYXSFINJQNOJ-UHFFFAOYSA-N
XLogP5.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide (CID 90644664) is 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide is Cc1ccc(NC(=O)c2cccc3cc(-c4cccc5[nH]nc(N)c45)ccc23)c(F)c1.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
The InChIKey is SGIYXSFINJQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O/c1-14-8-11-21(20(26)12-14)28-25(31)19-6-2-4-15-13-16(9-10-17(15)19)18-5-3-7-22-23(18)24(27)30-29-22/h2-13H,1H3,(H,28,31)(H3,27,29,30).
What are the key properties of 6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 5.67, 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-fluoro-4-methylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).