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

C21H22N8OS — CID 170507945

IUPAC4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(c3nc(N)nc4[nH]ncc34)CC2)n1
InChIInChI=1S/C21H22N8OS/c22-17-3-1-2-14(25-17)16-10-13-15(31-16)4-9-30-21(13)5-7-29(8-6-21)19-12-11-24-28-18(12)26-20(23)27-19/h1-3,10-11H,4-9H2,(H2,22,25)(H3,23,24,26,27,28)
InChIKeyMGDGYQABPZKEQX-UHFFFAOYSA-N
MW434.53 g/mol
LogP2.71
Rot. Bonds2

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

4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 170507945) has the molecular formula C21H22N8OS and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-[2-(6-amino-2-pyridinyl)spiro[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-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID170507945
Molecular FormulaC21H22N8OS
Molecular Weight434.53 g/mol
Exact Mass434.16
IUPAC Name4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1cccc(-c2cc3c(s2)CCOC32CCN(c3nc(N)nc4[nH]ncc34)CC2)n1
InChIInChI=1S/C21H22N8OS/c22-17-3-1-2-14(25-17)16-10-13-15(31-16)4-9-30-21(13)5-7-29(8-6-21)19-12-11-24-28-18(12)26-20(23)27-19/h1-3,10-11H,4-9H2,(H2,22,25)(H3,23,24,26,27,28)
InChIKeyMGDGYQABPZKEQX-UHFFFAOYSA-N
XLogP2.71
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-(6-amino-2-pyridinyl)spiro[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-(6-amino-2-pyridinyl)spiro[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-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 170507945) is 4-[2-(6-amino-2-pyridinyl)spiro[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-(6-amino-2-pyridinyl)spiro[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-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Nc1cccc(-c2cc3c(s2)CCOC32CCN(c3nc(N)nc4[nH]ncc34)CC2)n1.
What is the InChIKey of 4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is MGDGYQABPZKEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8OS/c22-17-3-1-2-14(25-17)16-10-13-15(31-16)4-9-30-21(13)5-7-29(8-6-21)19-12-11-24-28-18(12)26-20(23)27-19/h1-3,10-11H,4-9H2,(H2,22,25)(H3,23,24,26,27,28).
What are the key properties of 4-[2-(6-amino-2-pyridinyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-[2-(6-amino-2-pyridinyl)spiro[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 434.53 g/mol, XLogP of 2.71, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-amino-2-pyridinyl)spiro[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 170507945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).