N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide

C30H22F5N3O2 — CID 66791452

IUPACN-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1cc(C(Cc2ccccc2)(NC(=O)c2cccn3nccc23)c2cc(F)cc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C30H22F5N3O2/c1-40-27-17-20(9-10-25(27)32)29(18-19-6-3-2-4-7-19,21-14-22(30(33,34)35)16-23(31)15-21)37-28(39)24-8-5-13-38-26(24)11-12-36-38/h2-17H,18H2,1H3,(H,37,39)
InChIKeyFAYRBGUDSCZZGQ-UHFFFAOYSA-N
MW551.52 g/mol
LogP6.56
Rot. Bonds7

About N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide

N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 66791452) has the molecular formula C30H22F5N3O2 and a molecular weight of 551.52 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID66791452
Molecular FormulaC30H22F5N3O2
Molecular Weight551.52 g/mol
Exact Mass551.16
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCOc1cc(C(Cc2ccccc2)(NC(=O)c2cccn3nccc23)c2cc(F)cc(C(F)(F)F)c2)ccc1F
InChIInChI=1S/C30H22F5N3O2/c1-40-27-17-20(9-10-25(27)32)29(18-19-6-3-2-4-7-19,21-14-22(30(33,34)35)16-23(31)15-21)37-28(39)24-8-5-13-38-26(24)11-12-36-38/h2-17H,18H2,1H3,(H,37,39)
InChIKeyFAYRBGUDSCZZGQ-UHFFFAOYSA-N
XLogP6.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide (CID 66791452) is N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide is COc1cc(C(Cc2ccccc2)(NC(=O)c2cccn3nccc23)c2cc(F)cc(C(F)(F)F)c2)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is FAYRBGUDSCZZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F5N3O2/c1-40-27-17-20(9-10-25(27)32)29(18-19-6-3-2-4-7-19,21-14-22(30(33,34)35)16-23(31)15-21)37-28(39)24-8-5-13-38-26(24)11-12-36-38/h2-17H,18H2,1H3,(H,37,39).
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide?
N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 551.52 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 66791452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).