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

C23H23F3N6O2 — CID 121237960

IUPACN-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C23H23F3N6O2/c1-30(2)9-10-31(3)22(34)20-15(5-4-8-27-20)14-6-7-16-18(11-14)32(13-23(24,25)26)21(33)17-12-28-29-19(16)17/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyYOHMZCAVENSQTM-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.68
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (PubChem CID 121237960) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
PubChem CID121237960
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC NameN-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ncccc1-c1ccc2c(c1)N(CC(F)(F)F)C(=O)C1=CN=NC12
InChIInChI=1S/C23H23F3N6O2/c1-30(2)9-10-31(3)22(34)20-15(5-4-8-27-20)14-6-7-16-18(11-14)32(13-23(24,25)26)21(33)17-12-28-29-19(16)17/h4-8,11-12,19H,9-10,13H2,1-3H3
InChIKeyYOHMZCAVENSQTM-UHFFFAOYSA-N
XLogP3.68
TPSA81.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 90203795
[4-[4-(4-Tert-butylphenyl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
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US20230406840, Example 22
CID 170539768
N-[(1S)-1-pyridin-2-ylethyl]-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide (CID 121237960) is N-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-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-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide is CN(C)CCN(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-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
The InChIKey is YOHMZCAVENSQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-30(2)9-10-31(3)22(34)20-15(5-4-8-27-20)14-6-7-16-18(11-14)32(13-23(24,25)26)21(33)17-12-28-29-19(16)17/h4-8,11-12,19H,9-10,13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-methyl-3-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-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 472.47 g/mol, XLogP of 3.68, 6 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-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 121237960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).