4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C20H20N8OS — CID 170512968

IUPAC4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(N2CCC3(CC2)OCCc2sc(-c4cnccn4)cc23)c2cn[nH]c2n1
InChIInChI=1S/C20H20N8OS/c21-19-25-17-12(10-24-27-17)18(26-19)28-6-2-20(3-7-28)13-9-16(14-11-22-4-5-23-14)30-15(13)1-8-29-20/h4-5,9-11H,1-3,6-8H2,(H3,21,24,25,26,27)
InChIKeyIJNFAEMNAGKDOA-UHFFFAOYSA-N
MW420.50 g/mol
LogP2.52
Rot. Bonds2

About 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 170512968) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID170512968
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC Name4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(N2CCC3(CC2)OCCc2sc(-c4cnccn4)cc23)c2cn[nH]c2n1
InChIInChI=1S/C20H20N8OS/c21-19-25-17-12(10-24-27-17)18(26-19)28-6-2-20(3-7-28)13-9-16(14-11-22-4-5-23-14)30-15(13)1-8-29-20/h4-5,9-11H,1-3,6-8H2,(H3,21,24,25,26,27)
InChIKeyIJNFAEMNAGKDOA-UHFFFAOYSA-N
XLogP2.52
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 170512968) is 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Nc1nc(N2CCC3(CC2)OCCc2sc(-c4cnccn4)cc23)c2cn[nH]c2n1.
What is the InChIKey of 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is IJNFAEMNAGKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c21-19-25-17-12(10-24-27-17)18(26-19)28-6-2-20(3-7-28)13-9-16(14-11-22-4-5-23-14)30-15(13)1-8-29-20/h4-5,9-11H,1-3,6-8H2,(H3,21,24,25,26,27).
What are the key properties of 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 420.50 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrazin-2-ylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 170512968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).