6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide

C24H16Br2N4O — CID 90644660

IUPAC6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cc(Br)cc(Br)c5)cccc4c3)c12
InChIInChI=1S/C24H16Br2N4O/c25-15-10-16(26)12-17(11-15)28-24(31)20-5-1-3-13-9-14(7-8-18(13)20)19-4-2-6-21-22(19)23(27)30-29-21/h1-12H,(H,28,31)(H3,27,29,30)
InChIKeyKDIKNVYPZCVDTG-UHFFFAOYSA-N
MW536.23 g/mol
LogP6.74
Rot. Bonds3

About 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide

6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide (PubChem CID 90644660) has the molecular formula C24H16Br2N4O and a molecular weight of 536.23 g/mol. Its IUPAC name is 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide
PubChem CID90644660
Molecular FormulaC24H16Br2N4O
Molecular Weight536.23 g/mol
Exact Mass533.97
IUPAC Name6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide
SMILESNc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cc(Br)cc(Br)c5)cccc4c3)c12
InChIInChI=1S/C24H16Br2N4O/c25-15-10-16(26)12-17(11-15)28-24(31)20-5-1-3-13-9-14(7-8-18(13)20)19-4-2-6-21-22(19)23(27)30-29-21/h1-12H,(H,28,31)(H3,27,29,30)
InChIKeyKDIKNVYPZCVDTG-UHFFFAOYSA-N
XLogP6.74
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.23
LogP ≤ 56.74
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
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-(2,4-difluorophenyl)naphthalene-1-carboxamide
CID 90644661
6-(3-amino-1H-indazol-4-yl)-N-cyclopropylnaphthalene-1-carboxamide
CID 90644662
6-(3-amino-1H-indazol-4-yl)-N-(3-chlorophenyl)naphthalene-1-carboxamide
CID 90644663
6-(3-amino-1H-indazol-4-yl)-N-(2-fluoro-4-methylphenyl)naphthalene-1-carboxamide
CID 90644664

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide (CID 90644660) is 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide is Nc1n[nH]c2cccc(-c3ccc4c(C(=O)Nc5cc(Br)cc(Br)c5)cccc4c3)c12.
What is the InChIKey of 6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide?
The InChIKey is KDIKNVYPZCVDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2N4O/c25-15-10-16(26)12-17(11-15)28-24(31)20-5-1-3-13-9-14(7-8-18(13)20)19-4-2-6-21-22(19)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-(3,5-dibromophenyl)naphthalene-1-carboxamide?
6-(3-amino-1H-indazol-4-yl)-N-(3,5-dibromophenyl)naphthalene-1-carboxamide has a molecular weight of 536.23 g/mol, XLogP of 6.74, 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-(3,5-dibromophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 90644660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).