1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H25N5O2 — CID 136858372

IUPAC1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCO[C@@H](CCCc4ccccc4)C3)nc21
InChIInChI=1S/C20H25N5O2/c1-24-19-17(12-21-24)20(26)23-18(22-19)14-25-10-11-27-16(13-25)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13-14H2,1H3,(H,22,23,26)/t16-/m0/s1
InChIKeyWNLVDUDMLPSULC-INIZCTEOSA-N
MW367.45 g/mol
LogP1.88
Rot. Bonds6

About 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136858372) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136858372
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCO[C@@H](CCCc4ccccc4)C3)nc21
InChIInChI=1S/C20H25N5O2/c1-24-19-17(12-21-24)20(26)23-18(22-19)14-25-10-11-27-16(13-25)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13-14H2,1H3,(H,22,23,26)/t16-/m0/s1
InChIKeyWNLVDUDMLPSULC-INIZCTEOSA-N
XLogP1.88
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136858372) is 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(CN3CCO[C@@H](CCCc4ccccc4)C3)nc21.
What is the InChIKey of 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WNLVDUDMLPSULC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-24-19-17(12-21-24)20(26)23-18(22-19)14-25-10-11-27-16(13-25)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,12,16H,5,8-11,13-14H2,1H3,(H,22,23,26)/t16-/m0/s1.
What are the key properties of 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 367.45 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136858372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).