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

C24H24FN3O3 — CID 176505922

IUPAC(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
SMILESCOc1cc(F)cc(C(=O)N2CCC3(CC2)OCCc2cn(-c4ccccc4)nc23)c1
InChIInChI=1S/C24H24FN3O3/c1-30-21-14-18(13-19(25)15-21)23(29)27-10-8-24(9-11-27)22-17(7-12-31-24)16-28(26-22)20-5-3-2-4-6-20/h2-6,13-16H,7-12H2,1H3
InChIKeyRKNHUIWGNTXPOV-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.72
Rot. Bonds3

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

(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone (PubChem CID 176505922) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
PubChem CID176505922
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
SMILESCOc1cc(F)cc(C(=O)N2CCC3(CC2)OCCc2cn(-c4ccccc4)nc23)c1
InChIInChI=1S/C24H24FN3O3/c1-30-21-14-18(13-19(25)15-21)23(29)27-10-8-24(9-11-27)22-17(7-12-31-24)16-28(26-22)20-5-3-2-4-6-20/h2-6,13-16H,7-12H2,1H3
InChIKeyRKNHUIWGNTXPOV-UHFFFAOYSA-N
XLogP3.72
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505816
(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
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 164689622
(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-pyridin-4-ylmethanone
CID 135095604
4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)benzenesulfonamide
CID 163306404
imidazo[1,2-a]pyridin-6-yl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163310408
(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 135109289
(2-methoxy-4-pyridinyl)-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135104461
1-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)phenyl]pyrrolidin-2-one
CID 162625461
(2-amino-4-phenylpyrimidin-5-yl)-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163316767
[1-(2-methoxyphenyl)pyrazol-4-yl]-spiro[4,5-dihydro-1H-pyrano[4,3-d]pyrazole-7,4'-piperidine]-1'-ylmethanone
CID 176504904

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The IUPAC name of (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone (CID 176505922) is (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone is COc1cc(F)cc(C(=O)N2CCC3(CC2)OCCc2cn(-c4ccccc4)nc23)c1.
What is the InChIKey of (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
The InChIKey is RKNHUIWGNTXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-30-21-14-18(13-19(25)15-21)23(29)27-10-8-24(9-11-27)22-17(7-12-31-24)16-28(26-22)20-5-3-2-4-6-20/h2-6,13-16H,7-12H2,1H3.
What are the key properties of (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone?
(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone has a molecular weight of 421.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 176505922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).