4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide

C24H26F3N5O2 — CID 145453007

IUPAC4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(C2CC3C(CN2)C2NNCC2C(=O)N3CC(F)(F)F)cc1
InChIInChI=1S/C24H26F3N5O2/c25-24(26,27)13-32-20-10-19(28-11-17(20)21-18(23(32)34)12-29-31-21)14-6-8-15(9-7-14)22(33)30-16-4-2-1-3-5-16/h1-9,17-21,28-29,31H,10-13H2,(H,30,33)
InChIKeyBLONNPCQBJJZLZ-UHFFFAOYSA-N
MW473.50 g/mol
LogP2.46
Rot. Bonds4

About 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide

4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide (PubChem CID 145453007) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide
PubChem CID145453007
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC Name4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(C2CC3C(CN2)C2NNCC2C(=O)N3CC(F)(F)F)cc1
InChIInChI=1S/C24H26F3N5O2/c25-24(26,27)13-32-20-10-19(28-11-17(20)21-18(23(32)34)12-29-31-21)14-6-8-15(9-7-14)22(33)30-16-4-2-1-3-5-16/h1-9,17-21,28-29,31H,10-13H2,(H,30,33)
InChIKeyBLONNPCQBJJZLZ-UHFFFAOYSA-N
XLogP2.46
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide with MolForge

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Related Compounds

8-[[4-fluoro-3-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]methyl]-2,3,4,4a,6,7,8,8a-octahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 124221261
7-(2-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103919
7-(4-morpholin-4-ylphenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103922
7-(4-piperazin-1-ylphenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78103923
7-(2-piperazin-1-ylphenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78111391
7-[3-(4-cyclopropylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 78111735
7-[4-(4-methylpiperazin-1-yl)phenyl]-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 121237867
7-[4-(diethylamino)phenyl]-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 121237868
7-[4-(dimethylamino)phenyl]-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 121237869
7-[2-(dimethylamino)phenyl]-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 121237903
2-[4-oxo-5-(2,2,2-trifluoroethyl)-9bH-pyrazolo[4,3-c]quinolin-7-yl]-N-propan-2-ylbenzamide
CID 121237912
7-(2-aminophenyl)-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c]quinolin-4-one
CID 121237915

Frequently Asked Questions

What is the IUPAC name of 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide?
The IUPAC name of 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide (CID 145453007) is 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide?
The canonical SMILES for 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(C2CC3C(CN2)C2NNCC2C(=O)N3CC(F)(F)F)cc1.
What is the InChIKey of 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide?
The InChIKey is BLONNPCQBJJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c25-24(26,27)13-32-20-10-19(28-11-17(20)21-18(23(32)34)12-29-31-21)14-6-8-15(9-7-14)22(33)30-16-4-2-1-3-5-16/h1-9,17-21,28-29,31H,10-13H2,(H,30,33).
What are the key properties of 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide?
4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide has a molecular weight of 473.50 g/mol, XLogP of 2.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-oxo-5-(2,2,2-trifluoroethyl)-2,3,3a,5a,6,7,8,9,9a,9b-decahydro-1H-pyrazolo[4,3-c][1,6]naphthyridin-7-yl]-N-phenylbenzamide is sourced from PubChem (CID 145453007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).