2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

C25H28N4O3 — CID 155664274

IUPAC2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1
InChIInChI=1S/C25H28N4O3/c1-16-13-18(17-7-5-6-8-19(17)26-16)23(31)28-11-9-25(10-12-28)14-20(30)22-21(32-25)15-29(27-22)24(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyOKOVUVGLNCMZMG-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.13
Rot. Bonds1

About 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one

2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 155664274) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID155664274
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1
InChIInChI=1S/C25H28N4O3/c1-16-13-18(17-7-5-6-8-19(17)26-16)23(31)28-11-9-25(10-12-28)14-20(30)22-21(32-25)15-29(27-22)24(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyOKOVUVGLNCMZMG-UHFFFAOYSA-N
XLogP4.13
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one with MolForge

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Related Compounds

1'-(3-amino-1,2-benzothiazole-5-carbonyl)-2-tert-butylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 44519831
2-tert-butyl-1'-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 44519836
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
CID 62045092
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70709661
6-chloro-5,7-dimethyl-1'-(2-methylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735393
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 155664274) is 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.
What is the SMILES notation for 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is Cc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1.
What is the InChIKey of 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is OKOVUVGLNCMZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-16-13-18(17-7-5-6-8-19(17)26-16)23(31)28-11-9-25(10-12-28)14-20(30)22-21(32-25)15-29(27-22)24(2,3)4/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 432.52 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(2-methylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 155664274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).