N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide

C22H19F3N6O2 — CID 90118439

IUPACN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide
SMILESCc1cc(Cn2cc3c(NC(=O)Cc4ccncc4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C22H19F3N6O2/c1-14-8-16(10-28-21(14)33-13-22(23,24)25)11-31-12-17-18(30-31)4-7-27-20(17)29-19(32)9-15-2-5-26-6-3-15/h2-8,10,12H,9,11,13H2,1H3,(H,27,29,32)
InChIKeyWBSXDQJNAAXIPL-UHFFFAOYSA-N
MW456.43 g/mol
LogP3.70
Rot. Bonds7

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

N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide (PubChem CID 90118439) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide
PubChem CID90118439
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC NameN-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide
SMILESCc1cc(Cn2cc3c(NC(=O)Cc4ccncc4)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C22H19F3N6O2/c1-14-8-16(10-28-21(14)33-13-22(23,24)25)11-31-12-17-18(30-31)4-7-27-20(17)29-19(32)9-15-2-5-26-6-3-15/h2-8,10,12H,9,11,13H2,1H3,(H,27,29,32)
InChIKeyWBSXDQJNAAXIPL-UHFFFAOYSA-N
XLogP3.70
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide with MolForge

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Related Compounds

9-[[4-[3-(1-acetylpiperidin-4-yl)pyrazol-1-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)pyridin-3-yl]-7H-purin-8-one
CID 129140073
1-[7-fluoro-3-(pyridin-4-ylmethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 76072171
1-[(2-methoxy-3-pyridinyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536036
1-[[2-(2,2-difluoroethoxy)phenyl]methyl]-3-[3-(2-methylpyridin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 89536045
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 92044823
4-[4-[4-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-yl]morpholine
CID 66825582
N-[5-[4-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]-2-pyridinyl]acetamide
CID 66829118
4-[4-[4-(1,1,1-trifluoropropan-2-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridin-2-yl]morpholine
CID 68069809
1-[3-(2,2-difluoroethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 76071326
1-[(2,6-difluorophenyl)methyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 76071938
1-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-pyridin-2-ylethyl)urea
CID 76072049
1-[(4-fluorophenyl)methyl]-3-[3-(2-methoxyethoxy)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 76072052

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide (CID 90118439) is N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide is Cc1cc(Cn2cc3c(NC(=O)Cc4ccncc4)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide?
The InChIKey is WBSXDQJNAAXIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-14-8-16(10-28-21(14)33-13-22(23,24)25)11-31-12-17-18(30-31)4-7-27-20(17)29-19(32)9-15-2-5-26-6-3-15/h2-8,10,12H,9,11,13H2,1H3,(H,27,29,32).
What are the key properties of N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide?
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide has a molecular weight of 456.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 90118439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).