2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H20N6O3 — CID 137259019

IUPAC2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC(c3ccccc3O)NN1)C2
InChIInChI=1S/C17H20N6O3/c18-17-19-13-8-23(6-5-10(13)15(25)20-17)16(26)12-7-11(21-22-12)9-3-1-2-4-14(9)24/h1-4,11-12,21-22,24H,5-8H2,(H3,18,19,20,25)
InChIKeySXTQXMZZNHCEJV-UHFFFAOYSA-N
MW356.39 g/mol
LogP-0.45
Rot. Bonds2

About 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137259019) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137259019
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Name2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC(c3ccccc3O)NN1)C2
InChIInChI=1S/C17H20N6O3/c18-17-19-13-8-23(6-5-10(13)15(25)20-17)16(26)12-7-11(21-22-12)9-3-1-2-4-14(9)24/h1-4,11-12,21-22,24H,5-8H2,(H3,18,19,20,25)
InChIKeySXTQXMZZNHCEJV-UHFFFAOYSA-N
XLogP-0.45
TPSA136.37 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 5-0.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-amino-7-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990874
7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137272433
7-[(2R)-5-oxopyrrolidine-2-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990837
2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733923
2-amino-7-[(1S)-2,2-dimethyl-1-thiophen-2-ylcyclopropanecarbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136858367
[5-(2-chlorophenyl)pyrazolidin-3-yl]-piperidin-1-ylmethanone
CID 74623681
7-[(3R)-1-methylpiperidine-3-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733959
7-(cyclopropanecarbonyl)-2-[1-(5-propan-2-ylpyrazolidine-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137287463
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 75261959
7-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 155495679
[5-(2-methoxyphenyl)pyrazolidin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 134086106
2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 135432076

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137259019) is 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CCN(C(=O)C1CC(c3ccccc3O)NN1)C2.
What is the InChIKey of 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SXTQXMZZNHCEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c18-17-19-13-8-23(6-5-10(13)15(25)20-17)16(26)12-7-11(21-22-12)9-3-1-2-4-14(9)24/h1-4,11-12,21-22,24H,5-8H2,(H3,18,19,20,25).
What are the key properties of 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 356.39 g/mol, XLogP of -0.45, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[5-(2-hydroxyphenyl)pyrazolidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137259019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).