1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C24H25F3N6O2 — CID 134434793

IUPAC1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(C)(C(=O)NCC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H25F3N6O2/c1-3-35-18-10-19(21-17(11-28)13-31-33(21)14-18)16-4-5-20(29-12-16)32-8-6-23(2,7-9-32)22(34)30-15-24(25,26)27/h4-5,10,12-14H,3,6-9,15H2,1-2H3,(H,30,34)
InChIKeyZEFYPRDUOFHZAA-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.95
Rot. Bonds6

About 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 134434793) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID134434793
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCCOc1cc(-c2ccc(N3CCC(C)(C(=O)NCC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H25F3N6O2/c1-3-35-18-10-19(21-17(11-28)13-31-33(21)14-18)16-4-5-20(29-12-16)32-8-6-23(2,7-9-32)22(34)30-15-24(25,26)27/h4-5,10,12-14H,3,6-9,15H2,1-2H3,(H,30,34)
InChIKeyZEFYPRDUOFHZAA-UHFFFAOYSA-N
XLogP3.95
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 134434793) is 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CCOc1cc(-c2ccc(N3CCC(C)(C(=O)NCC(F)(F)F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is ZEFYPRDUOFHZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-3-35-18-10-19(21-17(11-28)13-31-33(21)14-18)16-4-5-20(29-12-16)32-8-6-23(2,7-9-32)22(34)30-15-24(25,26)27/h4-5,10,12-14H,3,6-9,15H2,1-2H3,(H,30,34).
What are the key properties of 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134434793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).