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

C27H32N4O4 — CID 155664269

IUPAC2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCC(C)Oc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1
InChIInChI=1S/C27H32N4O4/c1-17(2)34-23-14-19(18-8-6-7-9-20(18)28-23)25(33)30-12-10-27(11-13-30)15-21(32)24-22(35-27)16-31(29-24)26(3,4)5/h6-9,14,16-17H,10-13,15H2,1-5H3
InChIKeyQPFULOVOQBJRIP-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.61
Rot. Bonds3

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

2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (PubChem CID 155664269) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
PubChem CID155664269
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
SMILESCC(C)Oc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1
InChIInChI=1S/C27H32N4O4/c1-17(2)34-23-14-19(18-8-6-7-9-20(18)28-23)25(33)30-12-10-27(11-13-30)15-21(32)24-22(35-27)16-31(29-24)26(3,4)5/h6-9,14,16-17H,10-13,15H2,1-5H3
InChIKeyQPFULOVOQBJRIP-UHFFFAOYSA-N
XLogP4.61
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
1'-(7-methyl-1H-indazole-5-carbonyl)-6-(1-methylpyrazol-4-yl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
CID 46884847
6-methoxy-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-pyrano[2,3-c]pyridine-2,4'-piperidine]-4-one
CID 46884881
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 90298269
ethyl (4S)-4-(1H-indazole-7-carbonylamino)-6-methoxyspiro[3,4-dihydropyrano[3,2-b]pyridine-2,4'-piperidine]-1'-carboxylate
CID 146633829
2-tert-butyl-1'-[2-(2-methylphenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664260
2-tert-butyl-1'-[2-[4-(dimethylamino)phenyl]quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664261
2-tert-butyl-1'-[2-(4-chlorophenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664262
2-tert-butyl-1'-(2-pyridin-2-ylquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664263
1'-[2-(4-bromophenyl)quinoline-4-carbonyl]-2-tert-butylspiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664264
2-tert-butyl-1'-[2-(2-chlorophenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664265
2-tert-butyl-1'-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one
CID 155664268

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The IUPAC name of 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one (CID 155664269) is 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-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-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The canonical SMILES for 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is CC(C)Oc1cc(C(=O)N2CCC3(CC2)CC(=O)c2nn(C(C)(C)C)cc2O3)c2ccccc2n1.
What is the InChIKey of 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
The InChIKey is QPFULOVOQBJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(2)34-23-14-19(18-8-6-7-9-20(18)28-23)25(33)30-12-10-27(11-13-30)15-21(32)24-22(35-27)16-31(29-24)26(3,4)5/h6-9,14,16-17H,10-13,15H2,1-5H3.
What are the key properties of 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one?
2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one has a molecular weight of 476.58 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1'-(2-propan-2-yloxyquinoline-4-carbonyl)spiro[6H-pyrano[3,2-c]pyrazole-5,4'-piperidine]-7-one is sourced from PubChem (CID 155664269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).