1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one

C24H26N4O2 — CID 176506834

IUPAC1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCC2(CC1)OCCc1cn(-c3ccccc3)nc12
InChIInChI=1S/C24H26N4O2/c29-22(7-6-19-8-13-25-14-9-19)27-15-11-24(12-16-27)23-20(10-17-30-24)18-28(26-23)21-4-2-1-3-5-21/h1-5,8-9,13-14,18H,6-7,10-12,15-17H2
InChIKeySYWXVQBJCSDWDD-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.29
Rot. Bonds4

About 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one

1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 176506834) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID176506834
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCC2(CC1)OCCc1cn(-c3ccccc3)nc12
InChIInChI=1S/C24H26N4O2/c29-22(7-6-19-8-13-25-14-9-19)27-15-11-24(12-16-27)23-20(10-17-30-24)18-28(26-23)21-4-2-1-3-5-21/h1-5,8-9,13-14,18H,6-7,10-12,15-17H2
InChIKeySYWXVQBJCSDWDD-UHFFFAOYSA-N
XLogP3.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylimidazol-4-yl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176503576
(5-fluoro-3-pyridinyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505816
(3-fluoro-5-methoxyphenyl)-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)methanone
CID 176505922
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451393
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 134451443
3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
CID 176503659
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72864225
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
CID 97272698
1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 126833498
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one (CID 176506834) is 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCC2(CC1)OCCc1cn(-c3ccccc3)nc12.
What is the InChIKey of 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is SYWXVQBJCSDWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-22(7-6-19-8-13-25-14-9-19)27-15-11-24(12-16-27)23-20(10-17-30-24)18-28(26-23)21-4-2-1-3-5-21/h1-5,8-9,13-14,18H,6-7,10-12,15-17H2.
What are the key properties of 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one?
1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 402.50 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 176506834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).