6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

C25H24FN7O — CID 135388173

IUPAC6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ccccc2)C3)n1
InChIInChI=1S/C25H24FN7O/c1-16(2)33-24(29-30-31-33)22-9-6-10-23(27-22)28-25(34)20-13-18-15-32(19-7-4-3-5-8-19)12-11-17(18)14-21(20)26/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,27,28,34)
InChIKeyLMJHXEMTVLKURB-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.27
Rot. Bonds5

About 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 135388173) has the molecular formula C25H24FN7O and a molecular weight of 457.51 g/mol. Its IUPAC name is 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID135388173
Molecular FormulaC25H24FN7O
Molecular Weight457.51 g/mol
Exact Mass457.20
IUPAC Name6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ccccc2)C3)n1
InChIInChI=1S/C25H24FN7O/c1-16(2)33-24(29-30-31-33)22-9-6-10-23(27-22)28-25(34)20-13-18-15-32(19-7-4-3-5-8-19)12-11-17(18)14-21(20)26/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,27,28,34)
InChIKeyLMJHXEMTVLKURB-UHFFFAOYSA-N
XLogP4.27
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 135388173) is 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is CC(C)n1nnnc1-c1cccc(NC(=O)c2cc3c(cc2F)CCN(c2ccccc2)C3)n1.
What is the InChIKey of 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is LMJHXEMTVLKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O/c1-16(2)33-24(29-30-31-33)22-9-6-10-23(27-22)28-25(34)20-13-18-15-32(19-7-4-3-5-8-19)12-11-17(18)14-21(20)26/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,27,28,34).
What are the key properties of 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-phenyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 135388173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).