1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C18H10F6N6O — CID 134609852

IUPAC1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccn3nccc23)c1C(F)(F)F
InChIInChI=1S/C18H10F6N6O/c19-17(20,21)14-8-10(3-5-25-14)28-16(31)11-9-27-30(15(11)18(22,23)24)13-2-1-7-29-12(13)4-6-26-29/h1-9H,(H,25,28,31)
InChIKeyFDQYVLUJMDERDE-UHFFFAOYSA-N
MW440.31 g/mol
LogP4.20
Rot. Bonds3

About 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 134609852) has the molecular formula C18H10F6N6O and a molecular weight of 440.31 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID134609852
Molecular FormulaC18H10F6N6O
Molecular Weight440.31 g/mol
Exact Mass440.08
IUPAC Name1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccn3nccc23)c1C(F)(F)F
InChIInChI=1S/C18H10F6N6O/c19-17(20,21)14-8-10(3-5-25-14)28-16(31)11-9-27-30(15(11)18(22,23)24)13-2-1-7-29-12(13)4-6-26-29/h1-9H,(H,25,28,31)
InChIKeyFDQYVLUJMDERDE-UHFFFAOYSA-N
XLogP4.20
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 134609852) is 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cccn3nccc23)c1C(F)(F)F.
What is the InChIKey of 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is FDQYVLUJMDERDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N6O/c19-17(20,21)14-8-10(3-5-25-14)28-16(31)11-9-27-30(15(11)18(22,23)24)13-2-1-7-29-12(13)4-6-26-29/h1-9H,(H,25,28,31).
What are the key properties of 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 440.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134609852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).