7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H25N5O3 — CID 136707050

IUPAC7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)Cc1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)no1
InChIInChI=1S/C19H25N5O3/c1-12(2)9-13-10-15(22-27-13)18(26)24-8-5-14-16(11-24)20-19(21-17(14)25)23-6-3-4-7-23/h10,12H,3-9,11H2,1-2H3,(H,20,21,25)
InChIKeyJDEHWXLSALJPMM-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.76
Rot. Bonds4

About 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707050) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707050
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)Cc1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)no1
InChIInChI=1S/C19H25N5O3/c1-12(2)9-13-10-15(22-27-13)18(26)24-8-5-14-16(11-24)20-19(21-17(14)25)23-6-3-4-7-23/h10,12H,3-9,11H2,1-2H3,(H,20,21,25)
InChIKeyJDEHWXLSALJPMM-UHFFFAOYSA-N
XLogP1.76
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707049
7-[2-(3,4-dimethoxyphenyl)acetyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719594
2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707048
7-[(5-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680848
7-(3,4-dimethoxybenzoyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707059
1-methyl-8-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72866055
7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719613
[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56874495
7-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707014
7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891404
6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735137
6-propan-2-yl-2-[1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796249

Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707050) is 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)Cc1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)no1.
What is the InChIKey of 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JDEHWXLSALJPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12(2)9-13-10-15(22-27-13)18(26)24-8-5-14-16(11-24)20-19(21-17(14)25)23-6-3-4-7-23/h10,12H,3-9,11H2,1-2H3,(H,20,21,25).
What are the key properties of 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 371.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).