N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide

C19H14F3N5O2 — CID 121237962

IUPACN-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C19H14F3N5O2/c1-23-17(28)16-11(3-2-6-24-16)10-4-5-12-14(7-10)27(9-19(20,21)22)18(29)13-8-25-26-15(12)13/h2-8,15H,9H2,1H3,(H,23,28)
InChIKeyZTTRUHLCRPUATR-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.41
Rot. Bonds3

About N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide

N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (PubChem CID 121237962) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
PubChem CID121237962
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC NameN-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C19H14F3N5O2/c1-23-17(28)16-11(3-2-6-24-16)10-4-5-12-14(7-10)27(9-19(20,21)22)18(29)13-8-25-26-15(12)13/h2-8,15H,9H2,1H3,(H,23,28)
InChIKeyZTTRUHLCRPUATR-UHFFFAOYSA-N
XLogP3.41
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (CID 121237962) is N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is CNC(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12.
What is the InChIKey of N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is ZTTRUHLCRPUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-23-17(28)16-11(3-2-6-24-16)10-4-5-12-14(7-10)27(9-19(20,21)22)18(29)13-8-25-26-15(12)13/h2-8,15H,9H2,1H3,(H,23,28).
What are the key properties of N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 401.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121237962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).