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

C24H17ClN4O — CID 90644663

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(Cl)c5)cccc4c3)c12
InChIInChI=1S/C24H17ClN4O/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)
InChIKeyFIUIHPKEHCEBHN-UHFFFAOYSA-N
MW412.88 g/mol
LogP5.87
Rot. Bonds3

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

6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide (PubChem CID 90644663) has the molecular formula C24H17ClN4O and a molecular weight of 412.88 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide
PubChem CID90644663
Molecular FormulaC24H17ClN4O
Molecular Weight412.88 g/mol
Exact Mass412.11
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(Cl)c5)cccc4c3)c12
InChIInChI=1S/C24H17ClN4O/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)
InChIKeyFIUIHPKEHCEBHN-UHFFFAOYSA-N
XLogP5.87
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.88
LogP ≤ 55.87
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-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(3-chlorophenyl)urea
CID 122195163
N-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-2-naphthalen-2-yl-acetamide
CID 11002935
6-(3-amino-1H-indazol-4-yl)-N-(4-methylphenyl)naphthalene-1-carboxamide
CID 90644653
6-(3-amino-1H-indazol-4-yl)-N-(3,5-dichlorophenyl)naphthalene-1-carboxamide
CID 90644654
6-(3-amino-1H-indazol-4-yl)-N-(3-ethylphenyl)naphthalene-1-carboxamide
CID 90644655
6-(3-amino-1H-indazol-4-yl)-N-phenylnaphthalene-1-carboxamide
CID 90644656
6-(3-amino-1H-indazol-4-yl)-N-(3,5-difluorophenyl)naphthalene-1-carboxamide
CID 90644657
6-(3-amino-1H-indazol-4-yl)-N-(3-methylphenyl)naphthalene-1-carboxamide
CID 90644658
6-(3-amino-1H-indazol-4-yl)-N-(3-fluorophenyl)naphthalene-1-carboxamide
CID 90644659
6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide
CID 90644660

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide (CID 90644663) is 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cccc(Cl)c5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide?
The InChIKey is FIUIHPKEHCEBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O/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-chlorophenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide has a molecular weight of 412.88 g/mol, XLogP of 5.87, 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-chlorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).