CID 134787407

C22H18FN3O3S — CID 134787407

IUPAC—
SMILESC[S+](=O)([O-])c1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)n3ccccc23)cc1
InChIInChI=1S/C22H18FN3O3S/c1-30(28,29)18-11-7-16(8-12-18)20-19-4-2-3-13-26(19)21(25-20)22(27)24-14-15-5-9-17(23)10-6-15/h2-13H,14H2,1H3,(H-,24,27,28,29)
InChIKeyWTBVWXUVRNJJGX-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.69
Rot. Bonds5

About CID 134787407

CID 134787407 (PubChem CID 134787407) has the molecular formula C22H18FN3O3S and a molecular weight of 423.47 g/mol.

Molecular Properties

Compound NameCID 134787407
PubChem CID134787407
Molecular FormulaC22H18FN3O3S
Molecular Weight423.47 g/mol
Exact Mass423.11
IUPAC Name—
SMILESC[S+](=O)([O-])c1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)n3ccccc23)cc1
InChIInChI=1S/C22H18FN3O3S/c1-30(28,29)18-11-7-16(8-12-18)20-19-4-2-3-13-26(19)21(25-20)22(27)24-14-15-5-9-17(23)10-6-15/h2-13H,14H2,1H3,(H-,24,27,28,29)
InChIKeyWTBVWXUVRNJJGX-UHFFFAOYSA-N
XLogP3.69
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 134793631
1-(4-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 58023387
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
N-[(2R)-3,3-dimethylbutan-2-yl]-1-(4-fluorophenyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 70943933
1-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 134791778
3-N-[(4-fluorophenyl)methyl]-1-N-(5-methyl-1,2-oxazol-3-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070511
3-N-[(4-methylphenyl)methyl]-1-N-(pyridin-4-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070389
3-N-[(4-methylphenyl)methyl]-1-N-propylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109065877
3-cyclopropyl-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 69006617
3-N-[(4-methylphenyl)methyl]-1-N-prop-2-enylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066823
3-N,3-N-diethyl-1-N-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070373
3-N-[(4-methylphenyl)methyl]-1-N-pentylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070393

Frequently Asked Questions

What is the IUPAC name of CID 134787407?
The IUPAC name of CID 134787407 (CID 134787407) is not available.
What is the SMILES notation for CID 134787407?
The canonical SMILES for CID 134787407 is C[S+](=O)([O-])c1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)n3ccccc23)cc1.
What is the InChIKey of CID 134787407?
The InChIKey is WTBVWXUVRNJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3S/c1-30(28,29)18-11-7-16(8-12-18)20-19-4-2-3-13-26(19)21(25-20)22(27)24-14-15-5-9-17(23)10-6-15/h2-13H,14H2,1H3,(H-,24,27,28,29).
What are the key properties of CID 134787407?
CID 134787407 has a molecular weight of 423.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134787407 is sourced from PubChem (CID 134787407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).