N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

C17H17F3N6O — CID 167876738

IUPACN-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn2ccccc12)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)15-6-10-25(23-15)12-4-8-24(9-5-12)16(27)22-13-11-21-26-7-2-1-3-14(13)26/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,27)
InChIKeyZNMVNEFNBRPROI-UHFFFAOYSA-N
MW378.36 g/mol
LogP3.42
Rot. Bonds2

About N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide

N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (PubChem CID 167876738) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
PubChem CID167876738
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC NameN-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
SMILESO=C(Nc1cnn2ccccc12)N1CCC(n2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)15-6-10-25(23-15)12-4-8-24(9-5-12)16(27)22-13-11-21-26-7-2-1-3-14(13)26/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,27)
InChIKeyZNMVNEFNBRPROI-UHFFFAOYSA-N
XLogP3.42
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide (CID 167876738) is N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is O=C(Nc1cnn2ccccc12)N1CCC(n2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
The InChIKey is ZNMVNEFNBRPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)15-6-10-25(23-15)12-4-8-24(9-5-12)16(27)22-13-11-21-26-7-2-1-3-14(13)26/h1-3,6-7,10-12H,4-5,8-9H2,(H,22,27).
What are the key properties of N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide?
N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide has a molecular weight of 378.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazolo[1,5-a]pyridin-3-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 167876738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).