[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone

C14H18N6O2 — CID 163355013

IUPAC[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ncc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc21
InChIInChI=1S/C14H18N6O2/c1-18-12-11(6-17-18)13(16-9-15-12)20-7-10(8-20)14(21)19-2-4-22-5-3-19/h6,9-10H,2-5,7-8H2,1H3
InChIKeyDDUZVNXGSKFTGH-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.34
Rot. Bonds2

About [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone

[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 163355013) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
PubChem CID163355013
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ncc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc21
InChIInChI=1S/C14H18N6O2/c1-18-12-11(6-17-18)13(16-9-15-12)20-7-10(8-20)14(21)19-2-4-22-5-3-19/h6,9-10H,2-5,7-8H2,1H3
InChIKeyDDUZVNXGSKFTGH-UHFFFAOYSA-N
XLogP-0.34
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,4R)-4-fluoro-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120929111
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163351886
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 43088533
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358224
(3-aminocyclohexyl)-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119840109
morpholin-4-yl-(1-pyrido[3,4-d]pyrimidin-4-ylazetidin-3-yl)methanone
CID 163354113
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 94521513
(2S,6S)-2,6-dimethyl-4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 7197181
2-amino-1-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120797541
methyl 1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 78920258
[(2S,4S)-4-methoxy-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 128978324
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone (CID 163355013) is [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone is Cn1ncc2c(N3CC(C(=O)N4CCOCC4)C3)ncnc21.
What is the InChIKey of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DDUZVNXGSKFTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-18-12-11(6-17-18)13(16-9-15-12)20-7-10(8-20)14(21)19-2-4-22-5-3-19/h6,9-10H,2-5,7-8H2,1H3.
What are the key properties of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone?
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 302.34 g/mol, XLogP of -0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 163355013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).