1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide

C23H25F3N6O3 — CID 74538984

IUPAC1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nccc3nn(Cc4cnc(OCC(F)(F)F)c(C)c4)cc23)CC1
InChIInChI=1S/C23H25F3N6O3/c1-14-9-16(10-28-22(14)35-13-23(24,25)26)11-32-12-18-19(30-32)3-6-27-20(18)29-21(34)17-4-7-31(8-5-17)15(2)33/h3,6,9-10,12,17H,4-5,7-8,11,13H2,1-2H3,(H,27,29,34)
InChIKeyKOEIQVCWLFABIG-UHFFFAOYSA-N
MW490.49 g/mol
LogP3.32
Rot. Bonds6

About 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide

1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide (PubChem CID 74538984) has the molecular formula C23H25F3N6O3 and a molecular weight of 490.49 g/mol. Its IUPAC name is 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide
PubChem CID74538984
Molecular FormulaC23H25F3N6O3
Molecular Weight490.49 g/mol
Exact Mass490.19
IUPAC Name1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2nccc3nn(Cc4cnc(OCC(F)(F)F)c(C)c4)cc23)CC1
InChIInChI=1S/C23H25F3N6O3/c1-14-9-16(10-28-22(14)35-13-23(24,25)26)11-32-12-18-19(30-32)3-6-27-20(18)29-21(34)17-4-7-31(8-5-17)15(2)33/h3,6,9-10,12,17H,4-5,7-8,11,13H2,1-2H3,(H,27,29,34)
InChIKeyKOEIQVCWLFABIG-UHFFFAOYSA-N
XLogP3.32
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide (CID 74538984) is 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2nccc3nn(Cc4cnc(OCC(F)(F)F)c(C)c4)cc23)CC1.
What is the InChIKey of 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide?
The InChIKey is KOEIQVCWLFABIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O3/c1-14-9-16(10-28-22(14)35-13-23(24,25)26)11-32-12-18-19(30-32)3-6-27-20(18)29-21(34)17-4-7-31(8-5-17)15(2)33/h3,6,9-10,12,17H,4-5,7-8,11,13H2,1-2H3,(H,27,29,34).
What are the key properties of 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide?
1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 74538984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).