(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

C24H22N4O2S — CID 170510060

IUPAC(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCC2(CC1)OCCc1sc(-c3ccccc3)cc12
InChIInChI=1S/C24H22N4O2S/c29-23(19-16-22-25-10-4-11-28(22)26-19)27-12-8-24(9-13-27)18-15-21(17-5-2-1-3-6-17)31-20(18)7-14-30-24/h1-6,10-11,15-16H,7-9,12-14H2
InChIKeyVXMFHCWGFHXXPY-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.16
Rot. Bonds2

About (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone

(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (PubChem CID 170510060) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
PubChem CID170510060
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
SMILESO=C(c1cc2ncccn2n1)N1CCC2(CC1)OCCc1sc(-c3ccccc3)cc12
InChIInChI=1S/C24H22N4O2S/c29-23(19-16-22-25-10-4-11-28(22)26-19)27-12-8-24(9-13-27)18-15-21(17-5-2-1-3-6-17)31-20(18)7-14-30-24/h1-6,10-11,15-16H,7-9,12-14H2
InChIKeyVXMFHCWGFHXXPY-UHFFFAOYSA-N
XLogP4.16
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The IUPAC name of (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone (CID 170510060) is (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The canonical SMILES for (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is O=C(c1cc2ncccn2n1)N1CCC2(CC1)OCCc1sc(-c3ccccc3)cc12.
What is the InChIKey of (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
The InChIKey is VXMFHCWGFHXXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c29-23(19-16-22-25-10-4-11-28(22)26-19)27-12-8-24(9-13-27)18-15-21(17-5-2-1-3-6-17)31-20(18)7-14-30-24/h1-6,10-11,15-16H,7-9,12-14H2.
What are the key properties of (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone?
(2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone has a molecular weight of 430.53 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 170510060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).