(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone

C22H21FN4O2 — CID 176505816

IUPAC(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cncc(F)c1)N1CCC2(CC1)OCCc1cn(-c3ccccc3)nc12
InChIInChI=1S/C22H21FN4O2/c23-18-12-17(13-24-14-18)21(28)26-9-7-22(8-10-26)20-16(6-11-29-22)15-27(25-20)19-4-2-1-3-5-19/h1-5,12-15H,6-11H2
InChIKeyIYLZHBHQJFXXJU-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.11
Rot. Bonds2

About (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone

(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone (PubChem CID 176505816) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
PubChem CID176505816
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
SMILESO=C(c1cncc(F)c1)N1CCC2(CC1)OCCc1cn(-c3ccccc3)nc12
InChIInChI=1S/C22H21FN4O2/c23-18-12-17(13-24-14-18)21(28)26-9-7-22(8-10-26)20-16(6-11-29-22)15-27(25-20)19-4-2-1-3-5-19/h1-5,12-15H,6-11H2
InChIKeyIYLZHBHQJFXXJU-UHFFFAOYSA-N
XLogP3.11
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone with MolForge

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Related Compounds

(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505922
(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176503576
1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 176506834
(5-chloro-3-pyridinyl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone
CID 163310377
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(5-fluoro-3-pyridinyl)methanone
CID 113340544
5-(spiro[1,2-dihydroindene-3,2'-morpholine]-4'-carbonyl)pyridine-3-carboxylic acid
CID 146136989
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
[5-(3-aminopropyl)-3-pyridinyl]-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501193
(5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
CID 72936148
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 104786148
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
N-[3-(2-methylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)phenyl]acetamide
CID 176502875

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone (CID 176505816) is (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone is O=C(c1cncc(F)c1)N1CCC2(CC1)OCCc1cn(-c3ccccc3)nc12.
What is the InChIKey of (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is IYLZHBHQJFXXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-12-17(13-24-14-18)21(28)26-9-7-22(8-10-26)20-16(6-11-29-22)15-27(25-20)19-4-2-1-3-5-19/h1-5,12-15H,6-11H2.
What are the key properties of (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 392.43 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 176505816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).