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

C24H25F3N6O2 — CID 121237966

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C24H25F3N6O2/c1-4-32(11-10-31(2)3)23(35)21-16(6-5-9-28-21)15-7-8-17-19(12-15)33(14-24(25,26)27)22(34)18-13-29-30-20(17)18/h5-9,12-13,20H,4,10-11,14H2,1-3H3
InChIKeyKXLSSAUTQQZPJR-UHFFFAOYSA-N
MW486.50 g/mol
LogP4.07
Rot. Bonds7

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

N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (PubChem CID 121237966) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
PubChem CID121237966
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C24H25F3N6O2/c1-4-32(11-10-31(2)3)23(35)21-16(6-5-9-28-21)15-7-8-17-19(12-15)33(14-24(25,26)27)22(34)18-13-29-30-20(17)18/h5-9,12-13,20H,4,10-11,14H2,1-3H3
InChIKeyKXLSSAUTQQZPJR-UHFFFAOYSA-N
XLogP4.07
TPSA81.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (CID 121237966) is N-[2-(dimethylamino)ethyl]-N-ethyl-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-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is CCN(CCN(C)C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is KXLSSAUTQQZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-4-32(11-10-31(2)3)23(35)21-16(6-5-9-28-21)15-7-8-17-19(12-15)33(14-24(25,26)27)22(34)18-13-29-30-20(17)18/h5-9,12-13,20H,4,10-11,14H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 121237966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).