[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone

C21H23F2N5O2 — CID 133143248

IUPAC[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(COCc3cnc(N4CCC(F)(F)CC4)nc32)C1
InChIInChI=1S/C21H23F2N5O2/c22-21(23)5-9-27(10-6-21)19-25-11-15-12-30-14-20(17(15)26-19)4-8-28(13-20)18(29)16-3-1-2-7-24-16/h1-3,7,11H,4-6,8-10,12-14H2
InChIKeyHXEXXVGTRLQIEY-UHFFFAOYSA-N
MW415.44 g/mol
LogP2.42
Rot. Bonds2

About [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone

[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone (PubChem CID 133143248) has the molecular formula C21H23F2N5O2 and a molecular weight of 415.44 g/mol. Its IUPAC name is [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone
PubChem CID133143248
Molecular FormulaC21H23F2N5O2
Molecular Weight415.44 g/mol
Exact Mass415.18
IUPAC Name[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(COCc3cnc(N4CCC(F)(F)CC4)nc32)C1
InChIInChI=1S/C21H23F2N5O2/c22-21(23)5-9-27(10-6-21)19-25-11-15-12-30-14-20(17(15)26-19)4-8-28(13-20)18(29)16-3-1-2-7-24-16/h1-3,7,11H,4-6,8-10,12-14H2
InChIKeyHXEXXVGTRLQIEY-UHFFFAOYSA-N
XLogP2.42
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155849548
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-(furan-3-yl)methanone
CID 131651039
3,3-dimethyl-1-(2-morpholin-4-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)butan-1-one
CID 131653847
[(8R)-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-[(3S)-oxolan-3-yl]methanone
CID 124821921
[2-(benzylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 131658966
N-(2-methylpropyl)-2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-carboxamide
CID 131659322
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 134075887
[2-(furan-2-ylmethylamino)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-phenylmethanone
CID 131662281
2-cyclopropyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)ethanone
CID 118739475
4-methyl-1-(2-phenylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)pentan-1-one
CID 131661059
1-(2-pyridin-3-ylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl)propan-1-one
CID 134075883
(8R)-1'-[(2-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]
CID 124814711

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone (CID 133143248) is [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC2(COCc3cnc(N4CCC(F)(F)CC4)nc32)C1.
What is the InChIKey of [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone?
The InChIKey is HXEXXVGTRLQIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2/c22-21(23)5-9-27(10-6-21)19-25-11-15-12-30-14-20(17(15)26-19)4-8-28(13-20)18(29)16-3-1-2-7-24-16/h1-3,7,11H,4-6,8-10,12-14H2.
What are the key properties of [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone?
[2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone has a molecular weight of 415.44 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-difluoropiperidin-1-yl)spiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-1'-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 133143248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).