4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine

C13H14N8O — CID 178106768

IUPAC4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine
SMILESNc1nc(N2CCOc3ccnc(N)c3C2)c2cn[nH]c2n1
InChIInChI=1S/C13H14N8O/c14-10-8-6-21(3-4-22-9(8)1-2-16-10)12-7-5-17-20-11(7)18-13(15)19-12/h1-2,5H,3-4,6H2,(H2,14,16)(H3,15,17,18,19,20)
InChIKeyZWIHVEGHMGLZQQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.31
Rot. Bonds1

About 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine

4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine (PubChem CID 178106768) has the molecular formula C13H14N8O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine.

Molecular Properties

Compound Name4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine
PubChem CID178106768
Molecular FormulaC13H14N8O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine
SMILESNc1nc(N2CCOc3ccnc(N)c3C2)c2cn[nH]c2n1
InChIInChI=1S/C13H14N8O/c14-10-8-6-21(3-4-22-9(8)1-2-16-10)12-7-5-17-20-11(7)18-13(15)19-12/h1-2,5H,3-4,6H2,(H2,14,16)(H3,15,17,18,19,20)
InChIKeyZWIHVEGHMGLZQQ-UHFFFAOYSA-N
XLogP0.31
TPSA131.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-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;ethane
CID 178106767
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-[[(2R)-oxan-2-yl]methyl]piperidine-4-carboxylic acid
CID 95463470
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 67163166
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
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
4-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 39782435
(3S,4S)-1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-4-(azepan-1-yl)piperidin-3-ol
CID 133129460
(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-[1-[(2-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 46932615
6-bromo-2-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 167786067
[1-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56739220

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine?
The IUPAC name of 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) is 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine.
What is the SMILES notation for 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine?
The canonical SMILES for 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine is Nc1nc(N2CCOc3ccnc(N)c3C2)c2cn[nH]c2n1.
What is the InChIKey of 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine?
The InChIKey is ZWIHVEGHMGLZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N8O/c14-10-8-6-21(3-4-22-9(8)1-2-16-10)12-7-5-17-20-11(7)18-13(15)19-12/h1-2,5H,3-4,6H2,(H2,14,16)(H3,15,17,18,19,20).
What are the key properties of 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine?
4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine has a molecular weight of 298.31 g/mol, XLogP of 0.31, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3,5-dihydro-2H-pyrido[3,4-f][1,4]oxazepin-6-amine is sourced from PubChem (CID 178106768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).