N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C18H16IN3O — CID 86710936

IUPACN-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccc2n[nH]c(I)c2c1)C1CCCc2ccccc21
InChIInChI=1S/C18H16IN3O/c19-17-15-10-12(8-9-16(15)21-22-17)20-18(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,20,23)(H,21,22)
InChIKeyBHMXUAWCNRLRGX-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.23
Rot. Bonds2

About N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 86710936) has the molecular formula C18H16IN3O and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID86710936
Molecular FormulaC18H16IN3O
Molecular Weight417.25 g/mol
Exact Mass417.03
IUPAC NameN-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccc2n[nH]c(I)c2c1)C1CCCc2ccccc21
InChIInChI=1S/C18H16IN3O/c19-17-15-10-12(8-9-16(15)21-22-17)20-18(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,20,23)(H,21,22)
InChIKeyBHMXUAWCNRLRGX-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 47825629
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
(1S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95318911
N-(2-methylidene-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydro-1H-indene-1-carboxamide
CID 167540628
methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
CID 51949510
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60581044
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79497359
3-methylsulfonyl-5-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)benzoic acid
CID 119257791

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 86710936) is N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Nc1ccc2n[nH]c(I)c2c1)C1CCCc2ccccc21.
What is the InChIKey of N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is BHMXUAWCNRLRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O/c19-17-15-10-12(8-9-16(15)21-22-17)20-18(23)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14H,3,5,7H2,(H,20,23)(H,21,22).
What are the key properties of N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 417.25 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 86710936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).