1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide

C16H16F3N5O2 — CID 155351944

IUPAC1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)Nc3ccnn3CC(F)(F)F)cn(C)c12
InChIInChI=1S/C16H16F3N5O2/c1-9-6-23(3)15(26)12-10(7-22(2)13(9)12)14(25)21-11-4-5-20-24(11)8-16(17,18)19/h4-7H,8H2,1-3H3,(H,21,25)
InChIKeyFGXBAGFYEIANEP-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.20
Rot. Bonds3

About 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide

1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155351944) has the molecular formula C16H16F3N5O2 and a molecular weight of 367.33 g/mol. Its IUPAC name is 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155351944
Molecular FormulaC16H16F3N5O2
Molecular Weight367.33 g/mol
Exact Mass367.13
IUPAC Name1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1cn(C)c(=O)c2c(C(=O)Nc3ccnn3CC(F)(F)F)cn(C)c12
InChIInChI=1S/C16H16F3N5O2/c1-9-6-23(3)15(26)12-10(7-22(2)13(9)12)14(25)21-11-4-5-20-24(11)8-16(17,18)19/h4-7H,8H2,1-3H3,(H,21,25)
InChIKeyFGXBAGFYEIANEP-UHFFFAOYSA-N
XLogP2.20
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide (CID 155351944) is 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide is Cc1cn(C)c(=O)c2c(C(=O)Nc3ccnn3CC(F)(F)F)cn(C)c12.
What is the InChIKey of 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is FGXBAGFYEIANEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2/c1-9-6-23(3)15(26)12-10(7-22(2)13(9)12)14(25)21-11-4-5-20-24(11)8-16(17,18)19/h4-7H,8H2,1-3H3,(H,21,25).
What are the key properties of 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide?
1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 367.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-4-oxo-N-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155351944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).