1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine

C33H28F3N7O — CID 174355716

IUPAC1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine
SMILESFc1ccc(-c2nn3cc(CNC[C@H]4COC(Cn5cncn5)(c5ccc(F)cc5F)C4)ccc3c2-c2ccncc2)cc1
InChIInChI=1S/C33H28F3N7O/c34-26-4-2-25(3-5-26)32-31(24-9-11-37-12-10-24)30-8-1-22(17-43(30)41-32)15-38-16-23-14-33(44-18-23,19-42-21-39-20-40-42)28-7-6-27(35)13-29(28)36/h1-13,17,20-21,23,38H,14-16,18-19H2/t23-,33?/m0/s1
InChIKeyRFNCSZSZPMBNGP-SBYCOZGSSA-N
MW595.63 g/mol
LogP5.79
Rot. Bonds9

About 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine

1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine (PubChem CID 174355716) has the molecular formula C33H28F3N7O and a molecular weight of 595.63 g/mol. Its IUPAC name is 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine
PubChem CID174355716
Molecular FormulaC33H28F3N7O
Molecular Weight595.63 g/mol
Exact Mass595.23
IUPAC Name1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine
SMILESFc1ccc(-c2nn3cc(CNC[C@H]4COC(Cn5cncn5)(c5ccc(F)cc5F)C4)ccc3c2-c2ccncc2)cc1
InChIInChI=1S/C33H28F3N7O/c34-26-4-2-25(3-5-26)32-31(24-9-11-37-12-10-24)30-8-1-22(17-43(30)41-32)15-38-16-23-14-33(44-18-23,19-42-21-39-20-40-42)28-7-6-27(35)13-29(28)36/h1-13,17,20-21,23,38H,14-16,18-19H2/t23-,33?/m0/s1
InChIKeyRFNCSZSZPMBNGP-SBYCOZGSSA-N
XLogP5.79
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.63
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine 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 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine?
The IUPAC name of 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine (CID 174355716) is 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine.
What is the SMILES notation for 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine?
The canonical SMILES for 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine is Fc1ccc(-c2nn3cc(CNC[C@H]4COC(Cn5cncn5)(c5ccc(F)cc5F)C4)ccc3c2-c2ccncc2)cc1.
What is the InChIKey of 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine?
The InChIKey is RFNCSZSZPMBNGP-SBYCOZGSSA-N. The full InChI is InChI=1S/C33H28F3N7O/c34-26-4-2-25(3-5-26)32-31(24-9-11-37-12-10-24)30-8-1-22(17-43(30)41-32)15-38-16-23-14-33(44-18-23,19-42-21-39-20-40-42)28-7-6-27(35)13-29(28)36/h1-13,17,20-21,23,38H,14-16,18-19H2/t23-,33?/m0/s1.
What are the key properties of 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine?
1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine has a molecular weight of 595.63 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]-N-[[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]methyl]methanamine is sourced from PubChem (CID 174355716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).