N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide

C29H21F3N4O2 — CID 16659691

IUPACN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnn2cc(-c3ccccc3)ccc12
InChIInChI=1S/C29H21F3N4O2/c1-18-10-11-20(27(37)34-23-9-5-8-22(15-23)29(30,31)32)14-25(18)35-28(38)24-16-33-36-17-21(12-13-26(24)36)19-6-3-2-4-7-19/h2-17H,1H3,(H,34,37)(H,35,38)
InChIKeyLMNVSDJSGIAEQA-UHFFFAOYSA-N
MW514.51 g/mol
LogP6.83
Rot. Bonds5

About N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide

N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 16659691) has the molecular formula C29H21F3N4O2 and a molecular weight of 514.51 g/mol. Its IUPAC name is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID16659691
Molecular FormulaC29H21F3N4O2
Molecular Weight514.51 g/mol
Exact Mass514.16
IUPAC NameN-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnn2cc(-c3ccccc3)ccc12
InChIInChI=1S/C29H21F3N4O2/c1-18-10-11-20(27(37)34-23-9-5-8-22(15-23)29(30,31)32)14-25(18)35-28(38)24-16-33-36-17-21(12-13-26(24)36)19-6-3-2-4-7-19/h2-17H,1H3,(H,34,37)(H,35,38)
InChIKeyLMNVSDJSGIAEQA-UHFFFAOYSA-N
XLogP6.83
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.51
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide (CID 16659691) is N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnn2cc(-c3ccccc3)ccc12.
What is the InChIKey of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is LMNVSDJSGIAEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O2/c1-18-10-11-20(27(37)34-23-9-5-8-22(15-23)29(30,31)32)14-25(18)35-28(38)24-16-33-36-17-21(12-13-26(24)36)19-6-3-2-4-7-19/h2-17H,1H3,(H,34,37)(H,35,38).
What are the key properties of N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide?
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 514.51 g/mol, XLogP of 6.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6-phenylpyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 16659691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).