8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C16H18N6O2 — CID 137053176

IUPAC8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3cnn(CCN4CCOCC4)c3)nccc12
InChIInChI=1S/C16H18N6O2/c23-16-13-1-2-17-14(15(13)18-11-19-16)12-9-20-22(10-12)4-3-21-5-7-24-8-6-21/h1-2,9-11H,3-8H2,(H,18,19,23)
InChIKeyRSELQVJOYUROGM-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.51
Rot. Bonds4

About 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 137053176) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID137053176
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c(-c3cnn(CCN4CCOCC4)c3)nccc12
InChIInChI=1S/C16H18N6O2/c23-16-13-1-2-17-14(15(13)18-11-19-16)12-9-20-22(10-12)4-3-21-5-7-24-8-6-21/h1-2,9-11H,3-8H2,(H,18,19,23)
InChIKeyRSELQVJOYUROGM-UHFFFAOYSA-N
XLogP0.51
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-[1-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137252120
8-[3-amino-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazol-1-yl]-3H-1,7-naphthyridin-4-one
CID 158546590
2-amino-4-(4-fluorophenyl)-9-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]indeno[1,2-d]pyrimidin-5-one
CID 52920358
3-methyl-8-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]-3,8-diazabicyclo[3.2.1]octan-2-one
CID 146449145
N-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 141200703
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-6-(2-phenoxyphenyl)pyridazin-3-one
CID 90025606
1-cyclopropyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-4-yl]urea
CID 53236902
4-[2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-4-yl]pyrazol-1-yl]ethyl]morpholine
CID 167366502
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
4-[2-[4-[5-(cyclopenten-1-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 69052356

Frequently Asked Questions

What is the IUPAC name of 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 137053176) is 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-c3cnn(CCN4CCOCC4)c3)nccc12.
What is the InChIKey of 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RSELQVJOYUROGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-16-13-1-2-17-14(15(13)18-11-19-16)12-9-20-22(10-12)4-3-21-5-7-24-8-6-21/h1-2,9-11H,3-8H2,(H,18,19,23).
What are the key properties of 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 326.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137053176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).