(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone

C21H21FN4O3 — CID 146115030

IUPAC(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
SMILESCn1cc2c(n1)C(O)CC1(CCN(C(=O)c3cc(F)c4ncccc4c3)CC1)O2
InChIInChI=1S/C21H21FN4O3/c1-25-12-17-19(24-25)16(27)11-21(29-17)4-7-26(8-5-21)20(28)14-9-13-3-2-6-23-18(13)15(22)10-14/h2-3,6,9-10,12,16,27H,4-5,7-8,11H2,1H3
InChIKeyNQTSZZHUMPXBFZ-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.60
Rot. Bonds1

About (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone

(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone (PubChem CID 146115030) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
PubChem CID146115030
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
SMILESCn1cc2c(n1)C(O)CC1(CCN(C(=O)c3cc(F)c4ncccc4c3)CC1)O2
InChIInChI=1S/C21H21FN4O3/c1-25-12-17-19(24-25)16(27)11-21(29-17)4-7-26(8-5-21)20(28)14-9-13-3-2-6-23-18(13)15(22)10-14/h2-3,6,9-10,12,16,27H,4-5,7-8,11H2,1H3
InChIKeyNQTSZZHUMPXBFZ-UHFFFAOYSA-N
XLogP2.60
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-[6-methyl-2-(methylamino)pyrimidin-4-yl]methanone
CID 146115019
1-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-4-pyrrol-1-ylbutan-1-one
CID 146115016
(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-(4-fluoro-2-methylphenyl)methanone
CID 146115083
(3aR,6aR)-5-(8-fluoroquinoline-6-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138028513
[3-methyl-4-(2-methylpropyl)phenyl]-(2-methyl-7-propan-2-yloxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone
CID 130371069
7-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-carbonyl)-3H-1,3-benzoxazol-2-one
CID 167798589
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
CID 58551196
1-(2-ethyl-7-hydroxyspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)-2-(2H-indazol-3-yl)ethanone
CID 167777329
(3S)-N-(2-fluoro-3-pyridinyl)-3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 97273530
[(4S)-6-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;molecular hydrogen
CID 158002391
tert-butyl 7-fluoro-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
CID 67122794
2-[1'-(3-fluoro-4-methylbenzoyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]-N-methylacetamide
CID 131662490

Frequently Asked Questions

What is the IUPAC name of (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone (CID 146115030) is (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone is Cn1cc2c(n1)C(O)CC1(CCN(C(=O)c3cc(F)c4ncccc4c3)CC1)O2.
What is the InChIKey of (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
The InChIKey is NQTSZZHUMPXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-25-12-17-19(24-25)16(27)11-21(29-17)4-7-26(8-5-21)20(28)14-9-13-3-2-6-23-18(13)15(22)10-14/h2-3,6,9-10,12,16,27H,4-5,7-8,11H2,1H3.
What are the key properties of (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone?
(8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone has a molecular weight of 396.42 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoroquinolin-6-yl)-(7-hydroxy-2-methylspiro[6,7-dihydropyrano[3,2-c]pyrazole-5,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 146115030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).