3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one

C24H27N5O2 — CID 176503659

IUPAC3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12
InChIInChI=1S/C24H27N5O2/c1-28-20(9-13-26-28)7-8-21(30)29-14-11-24(12-15-29)22-19(10-16-31-24)17-25-23(27-22)18-5-3-2-4-6-18/h2-6,9,13,17H,7-8,10-12,14-16H2,1H3
InChIKeyIYXRTMMMBYLMJD-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.90
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one

3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 176503659) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
PubChem CID176503659
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12
InChIInChI=1S/C24H27N5O2/c1-28-20(9-13-26-28)7-8-21(30)29-14-11-24(12-15-29)22-19(10-16-31-24)17-25-23(27-22)18-5-3-2-4-6-18/h2-6,9,13,17H,7-8,10-12,14-16H2,1H3
InChIKeyIYXRTMMMBYLMJD-UHFFFAOYSA-N
XLogP2.90
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813
1,6-dimethyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176502375
imidazo[1,2-a]pyridin-8-yl-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503061
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176501187
(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-[(2R)-piperidin-2-yl]methanone
CID 176504592
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)methanone
CID 176503747
1-(2-aminospiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)-3-(1H-indol-3-yl)propan-1-one
CID 176503825
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 135116264
1-[2-(dimethylamino)spiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl]-2-(2H-indazol-3-yl)ethanone
CID 176506350
1-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-3-pyrazol-1-ylpropan-1-one
CID 135091787
1-(2-phenylspiro[4,5-dihydropyrano[3,4-c]pyrazole-7,4'-piperidine]-1'-yl)-3-pyridin-4-ylpropan-1-one
CID 176506834
4-methyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)pentan-1-one
CID 131661059

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 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) is 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCC2(CC1)OCCc1cnc(-c3ccccc3)nc12.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is IYXRTMMMBYLMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28-20(9-13-26-28)7-8-21(30)29-14-11-24(12-15-29)22-19(10-16-31-24)17-25-23(27-22)18-5-3-2-4-6-18/h2-6,9,13,17H,7-8,10-12,14-16H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one?
3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 417.51 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 176503659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).