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

C19H18F3N5O2 — CID 74539684

IUPAC1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Cn2cc3c(N4CCCC4=O)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N5O2/c1-12-7-13(8-24-18(12)29-11-19(20,21)22)9-26-10-14-15(25-26)4-5-23-17(14)27-6-2-3-16(27)28/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKeyOYWWWDZERLQYQH-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.25
Rot. Bonds5

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

1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one (PubChem CID 74539684) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 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 Name1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
PubChem CID74539684
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one
SMILESCc1cc(Cn2cc3c(N4CCCC4=O)nccc3n2)cnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N5O2/c1-12-7-13(8-24-18(12)29-11-19(20,21)22)9-26-10-14-15(25-26)4-5-23-17(14)27-6-2-3-16(27)28/h4-5,7-8,10H,2-3,6,9,11H2,1H3
InChIKeyOYWWWDZERLQYQH-UHFFFAOYSA-N
XLogP3.25
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one (CID 74539684) is 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 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 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(N4CCCC4=O)nccc3n2)cnc1OCC(F)(F)F.
What is the InChIKey of 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 OYWWWDZERLQYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-12-7-13(8-24-18(12)29-11-19(20,21)22)9-26-10-14-15(25-26)4-5-23-17(14)27-6-2-3-16(27)28/h4-5,7-8,10H,2-3,6,9,11H2,1H3.
What are the key properties of 1-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]pyrrolidin-2-one?
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 405.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 74539684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).