1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one

C12H15N5O3 — CID 22109656

IUPAC1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21
InChIInChI=1S/C12H15N5O3/c1-15-11-9(6-14-15)12(19)17(8-13-11)7-10(18)16-2-4-20-5-3-16/h6,8H,2-5,7H2,1H3
InChIKeyRDNMEQUCJDWIAV-UHFFFAOYSA-N
MW277.28 g/mol
LogP-1.01
Rot. Bonds2

About 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 22109656) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID22109656
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21
InChIInChI=1S/C12H15N5O3/c1-15-11-9(6-14-15)12(19)17(8-13-11)7-10(18)16-2-4-20-5-3-16/h6,8H,2-5,7H2,1H3
InChIKeyRDNMEQUCJDWIAV-UHFFFAOYSA-N
XLogP-1.01
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-Tert-butyl-5-[2-oxo-2-(1-piperidinyl)ethyl]-4-pyrazolo[3,4-d]pyrimidinone
CID 7118692
1-Tert-butyl-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one
CID 7118693
1-cyclopentyl-6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 155553114
6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629006
6-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629189
1-cyclopentyl-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629714
1-cyclopentyl-6-[[(2R)-1-(2,2-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166630101
1-cyclopentyl-6-[[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166629155
2-(1-methyl-4-oxo-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-5-yl)acetic acid
CID 16227403
4-Hydroxy-1-methyl-6-morpholinopyrazolo[3,4-d]pyrimidine
CID 135436424
6-[[3-methoxypropyl(methyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965570
6-[[bis(2-methoxyethyl)amino]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136051640

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 22109656) is 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CC(=O)N3CCOCC3)cnc21.
What is the InChIKey of 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RDNMEQUCJDWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-15-11-9(6-14-15)12(19)17(8-13-11)7-10(18)16-2-4-20-5-3-16/h6,8H,2-5,7H2,1H3.
What are the key properties of 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 277.28 g/mol, XLogP of -1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-morpholin-4-yl-2-oxoethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 22109656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).