7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H20N6O2 — CID 137272433

IUPAC7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CC(C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)NN1
InChIInChI=1S/C17H20N6O2/c1-10-7-13(22-21-10)17(25)23-6-4-12-14(9-23)19-15(20-16(12)24)11-3-2-5-18-8-11/h2-3,5,8,10,13,21-22H,4,6-7,9H2,1H3,(H,19,20,24)
InChIKeyLSFCMVWOYMLCNL-UHFFFAOYSA-N
MW340.39 g/mol
LogP-0.03
Rot. Bonds2

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

7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137272433) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137272433
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1CC(C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)NN1
InChIInChI=1S/C17H20N6O2/c1-10-7-13(22-21-10)17(25)23-6-4-12-14(9-23)19-15(20-16(12)24)11-3-2-5-18-8-11/h2-3,5,8,10,13,21-22H,4,6-7,9H2,1H3,(H,19,20,24)
InChIKeyLSFCMVWOYMLCNL-UHFFFAOYSA-N
XLogP-0.03
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
CID 135990735
7-[(2R)-5-oxopyrrolidine-2-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990837
7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136858434
7-(2-phenylpropanoyl)-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167046
7-[(3,5-dihydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865227
2-pyridin-3-yl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867269
7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864449
7-[(3R)-1-methylpiperidine-3-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733959
7-[2-(3-fluorophenyl)acetyl]-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167045
7-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681181
2-pyridin-3-yl-7-(thiophen-3-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867209
7-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681187

Frequently Asked Questions

What is the IUPAC name of 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137272433) is 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1CC(C(=O)N2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)NN1.
What is the InChIKey of 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LSFCMVWOYMLCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-7-13(22-21-10)17(25)23-6-4-12-14(9-23)19-15(20-16(12)24)11-3-2-5-18-8-11/h2-3,5,8,10,13,21-22H,4,6-7,9H2,1H3,(H,19,20,24).
What are the key properties of 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 340.39 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137272433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).