4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C11H14N6O — CID 178105507

IUPAC4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(N2CCOC3(CC3)C2)c2cn[nH]c2n1
InChIInChI=1S/C11H14N6O/c12-10-14-8-7(5-13-16-8)9(15-10)17-3-4-18-11(6-17)1-2-11/h5H,1-4,6H2,(H3,12,13,14,15,16)
InChIKeyLEFRMFVTIBMMEF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.30
Rot. Bonds1

About 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 178105507) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID178105507
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESNc1nc(N2CCOC3(CC3)C2)c2cn[nH]c2n1
InChIInChI=1S/C11H14N6O/c12-10-14-8-7(5-13-16-8)9(15-10)17-3-4-18-11(6-17)1-2-11/h5H,1-4,6H2,(H3,12,13,14,15,16)
InChIKeyLEFRMFVTIBMMEF-UHFFFAOYSA-N
XLogP0.30
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine
CID 178106768
(5R)-2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-cyclohexyl-2,7-diazaspiro[4.5]decan-6-one
CID 97202341
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56739220
4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine;ethane
CID 178106767
2-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 70725204
(5S)-7-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 97010540
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
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95463470
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
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-5-methoxy-3-methylpiperidin-3-ol
CID 178104706
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 67163166

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 178105507) is 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is Nc1nc(N2CCOC3(CC3)C2)c2cn[nH]c2n1.
What is the InChIKey of 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is LEFRMFVTIBMMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-10-14-8-7(5-13-16-8)9(15-10)17-3-4-18-11(6-17)1-2-11/h5H,1-4,6H2,(H3,12,13,14,15,16).
What are the key properties of 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 246.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 178105507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).