4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one

C19H18F3N5O3 — CID 90119393

IUPAC4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Cn2cc3c(N4CC(O)CC4=O)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N5O3/c1-11-4-12(6-24-18(11)30-10-19(20,21)22)7-26-9-14-15(25-26)2-3-23-17(14)27-8-13(28)5-16(27)29/h2-4,6,9,13,28H,5,7-8,10H2,1H3
InChIKeyRFOCPWIFIVYXLT-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.22
Rot. Bonds5

About 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one

4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one (PubChem CID 90119393) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
PubChem CID90119393
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC Name4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Cn2cc3c(N4CC(O)CC4=O)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N5O3/c1-11-4-12(6-24-18(11)30-10-19(20,21)22)7-26-9-14-15(25-26)2-3-23-17(14)27-8-13(28)5-16(27)29/h2-4,6,9,13,28H,5,7-8,10H2,1H3
InChIKeyRFOCPWIFIVYXLT-UHFFFAOYSA-N
XLogP2.22
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one (CID 90119393) is 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one is Cc1cc(Cn2cc3c(N4CC(O)CC4=O)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
The InChIKey is RFOCPWIFIVYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-11-4-12(6-24-18(11)30-10-19(20,21)22)7-26-9-14-15(25-26)2-3-23-17(14)27-8-13(28)5-16(27)29/h2-4,6,9,13,28H,5,7-8,10H2,1H3.
What are the key properties of 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one has a molecular weight of 421.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 90119393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).