2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide

C19H18F3N5O — CID 165402983

IUPAC2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(C2CC2)cn1)NCc1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)11-27-17-10-24-16(5-14(17)8-26-27)9-25-18(28)6-15-4-3-13(7-23-15)12-1-2-12/h3-5,7-8,10,12H,1-2,6,9,11H2,(H,25,28)
InChIKeyAWCRAGIEMYFARX-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.12
Rot. Bonds6

About 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide

2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide (PubChem CID 165402983) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide
PubChem CID165402983
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide
SMILESO=C(Cc1ccc(C2CC2)cn1)NCc1cc2cnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)11-27-17-10-24-16(5-14(17)8-26-27)9-25-18(28)6-15-4-3-13(7-23-15)12-1-2-12/h3-5,7-8,10,12H,1-2,6,9,11H2,(H,25,28)
InChIKeyAWCRAGIEMYFARX-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide?
The IUPAC name of 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide (CID 165402983) is 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide?
The canonical SMILES for 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide is O=C(Cc1ccc(C2CC2)cn1)NCc1cc2cnn(CC(F)(F)F)c2cn1.
What is the InChIKey of 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide?
The InChIKey is AWCRAGIEMYFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)11-27-17-10-24-16(5-14(17)8-26-27)9-25-18(28)6-15-4-3-13(7-23-15)12-1-2-12/h3-5,7-8,10,12H,1-2,6,9,11H2,(H,25,28).
What are the key properties of 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide?
2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide has a molecular weight of 389.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-2-pyridinyl)-N-[[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 165402983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).