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

C17H22N6O2 — CID 136707049

IUPAC7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cn1
InChIInChI=1S/C17H22N6O2/c1-2-23-10-12(9-18-23)16(25)22-8-5-13-14(11-22)19-17(20-15(13)24)21-6-3-4-7-21/h9-10H,2-8,11H2,1H3,(H,19,20,24)
InChIKeyLQYZHQOUCFTXID-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.79
Rot. Bonds3

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

7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707049) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707049
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cn1
InChIInChI=1S/C17H22N6O2/c1-2-23-10-12(9-18-23)16(25)22-8-5-13-14(11-22)19-17(20-15(13)24)21-6-3-4-7-21/h9-10H,2-8,11H2,1H3,(H,19,20,24)
InChIKeyLQYZHQOUCFTXID-UHFFFAOYSA-N
XLogP0.79
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
7-propanoyl-2-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136735150
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
7-(cyclohexylmethyl)-2-[1-(1-ethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795754
2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707048
(1-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 83883921
7-[2-(3,4-dimethoxyphenyl)acetyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719594
N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
CID 137095093
7-(3,4-dimethoxybenzoyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707059
7-[(5-methylthiophen-2-yl)methyl]-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136680848
2-(4-methylpiperazin-1-yl)-7-(2-methylpyrazole-3-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665800
2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7-(pyridine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682425

Frequently Asked Questions

What is the IUPAC name of 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707049) is 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCn1cc(C(=O)N2CCc3c(nc(N4CCCC4)[nH]c3=O)C2)cn1.
What is the InChIKey of 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LQYZHQOUCFTXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-23-10-12(9-18-23)16(25)22-8-5-13-14(11-22)19-17(20-15(13)24)21-6-3-4-7-21/h9-10H,2-8,11H2,1H3,(H,19,20,24).
What are the key properties of 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).