2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C19H19F3N4O2 — CID 46395132

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1nn(C)c2c(=O)n(C(C)C(=O)NCc3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C19H19F3N4O2/c1-11-15-7-8-26(18(28)16(15)25(3)24-11)12(2)17(27)23-10-13-5-4-6-14(9-13)19(20,21)22/h4-9,12H,10H2,1-3H3,(H,23,27)
InChIKeyZICBBEGTLHTECF-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.94
Rot. Bonds4

About 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 46395132) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID46395132
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCc1nn(C)c2c(=O)n(C(C)C(=O)NCc3cccc(C(F)(F)F)c3)ccc12
InChIInChI=1S/C19H19F3N4O2/c1-11-15-7-8-26(18(28)16(15)25(3)24-11)12(2)17(27)23-10-13-5-4-6-14(9-13)19(20,21)22/h4-9,12H,10H2,1-3H3,(H,23,27)
InChIKeyZICBBEGTLHTECF-UHFFFAOYSA-N
XLogP2.94
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 46395132) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is Cc1nn(C)c2c(=O)n(C(C)C(=O)NCc3cccc(C(F)(F)F)c3)ccc12.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is ZICBBEGTLHTECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-15-7-8-26(18(28)16(15)25(3)24-11)12(2)17(27)23-10-13-5-4-6-14(9-13)19(20,21)22/h4-9,12H,10H2,1-3H3,(H,23,27).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 392.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 46395132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).