2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one

C17H21N5O3 — CID 95707334

IUPAC2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccc([C@H](Cn2cnc3cn(C)nc3c2=O)N2CCOCC2)o1
InChIInChI=1S/C17H21N5O3/c1-12-3-4-15(25-12)14(21-5-7-24-8-6-21)10-22-11-18-13-9-20(2)19-16(13)17(22)23/h3-4,9,11,14H,5-8,10H2,1-2H3/t14-/m0/s1
InChIKeyKPSWUSJJUKCWQY-AWEZNQCLSA-N
MW343.39 g/mol
LogP1.10
Rot. Bonds4

About 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one

2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 95707334) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID95707334
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one
SMILESCc1ccc([C@H](Cn2cnc3cn(C)nc3c2=O)N2CCOCC2)o1
InChIInChI=1S/C17H21N5O3/c1-12-3-4-15(25-12)14(21-5-7-24-8-6-21)10-22-11-18-13-9-20(2)19-16(13)17(22)23/h3-4,9,11,14H,5-8,10H2,1-2H3/t14-/m0/s1
InChIKeyKPSWUSJJUKCWQY-AWEZNQCLSA-N
XLogP1.10
TPSA78.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one (CID 95707334) is 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one is Cc1ccc([C@H](Cn2cnc3cn(C)nc3c2=O)N2CCOCC2)o1.
What is the InChIKey of 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is KPSWUSJJUKCWQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-3-4-15(25-12)14(21-5-7-24-8-6-21)10-22-11-18-13-9-20(2)19-16(13)17(22)23/h3-4,9,11,14H,5-8,10H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one?
2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 343.39 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 95707334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).