1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide

C24H21F2N7O — CID 21366447

IUPAC1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H21F2N7O/c25-18-13-17(22(27)32-10-4-1-5-11-32)8-9-20(18)28-24(34)23-29-30-31-33(23)21-14-16-7-3-2-6-15(16)12-19(21)26/h2-3,6-9,12-14,27H,1,4-5,10-11H2,(H,28,34)/b27-22-
InChIKeyMTYNQJDXFWWIDO-QYQHSDTDSA-N
MW461.48 g/mol
LogP4.16
Rot. Bonds4

About 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide

1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide (PubChem CID 21366447) has the molecular formula C24H21F2N7O and a molecular weight of 461.48 g/mol. Its IUPAC name is 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide
PubChem CID21366447
Molecular FormulaC24H21F2N7O
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide
SMILES[H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1
InChIInChI=1S/C24H21F2N7O/c25-18-13-17(22(27)32-10-4-1-5-11-32)8-9-20(18)28-24(34)23-29-30-31-33(23)21-14-16-7-3-2-6-15(16)12-19(21)26/h2-3,6-9,12-14,27H,1,4-5,10-11H2,(H,28,34)/b27-22-
InChIKeyMTYNQJDXFWWIDO-QYQHSDTDSA-N
XLogP4.16
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-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

1-(6-Chloro-naphthalen-2-yl)-1H-tetrazole-5-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide
CID 21366482
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
CID 20595245
1-(3-Fluoro-naphthalen-2-yl)-1H-tetrazole-5-carboxylic acid [4-(N,N-dimethyl-carbamimidoyl)-2-fluoro-phenyl]-amide
CID 20595326
1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide
CID 21366448
1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide
CID 21366475
1-(6-Chloro-naphthalen-2-yl)-1H-tetrazole-5-carboxylic acid [2-fluoro-4-(imino-piperidin-1-yl-methyl)-phenyl]-amide
CID 21366478
1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide
CID 21366479
4-[4-(2-Fluorophenyl)piperazin-1-yl]-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
CID 53383706
US9873683, Example 40
CID 121330716
N-(3,5-difluorophenyl)-1-(naphthalen-1-yl)-5-phenyl-1h-1,2,4-triazole-3-carboxamide
CID 129837489
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 134788891
1-(4-fluorophenyl)-4-{2-[1-(2-naphthyl)-1H-tetraazol-5-yl]vinyl}piperazine
CID 5788070

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide (CID 21366447) is 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide is [H]/N=C(/c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1)N1CCCCC1.
What is the InChIKey of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide?
The InChIKey is MTYNQJDXFWWIDO-QYQHSDTDSA-N. The full InChI is InChI=1S/C24H21F2N7O/c25-18-13-17(22(27)32-10-4-1-5-11-32)8-9-20(18)28-24(34)23-29-30-31-33(23)21-14-16-7-3-2-6-15(16)12-19(21)26/h2-3,6-9,12-14,27H,1,4-5,10-11H2,(H,28,34)/b27-22-.
What are the key properties of 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide?
1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoronaphthalen-2-yl)-N-[2-fluoro-4-(piperidine-1-carboximidoyl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 21366447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).