7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C19H20N6O2 — CID 136858434

IUPAC7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccn1
InChIInChI=1S/C19H20N6O2/c1-2-16(25-9-4-8-21-25)19(27)24-10-6-14-15(12-24)22-17(23-18(14)26)13-5-3-7-20-11-13/h3-5,7-9,11,16H,2,6,10,12H2,1H3,(H,22,23,26)/t16-/m1/s1
InChIKeyLYEFSVURLZPNBP-MRXNPFEDSA-N
MW364.41 g/mol
LogP1.56
Rot. Bonds4

About 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136858434) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136858434
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccn1
InChIInChI=1S/C19H20N6O2/c1-2-16(25-9-4-8-21-25)19(27)24-10-6-14-15(12-24)22-17(23-18(14)26)13-5-3-7-20-11-13/h3-5,7-9,11,16H,2,6,10,12H2,1H3,(H,22,23,26)/t16-/m1/s1
InChIKeyLYEFSVURLZPNBP-MRXNPFEDSA-N
XLogP1.56
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-phenylpropanoyl)-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167046
2-(4-oxo-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
CID 135990735
7-(5-methylpyrazolidine-3-carbonyl)-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137272433
7-[(2-ethylphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864449
2-pyridin-3-yl-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135867269
7-[(3,5-dihydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865227
7-[(2R)-2-imidazol-1-ylpropanoyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136706442
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
N-[(2S)-3-hydroxy-1-oxo-1-(4-oxo-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propan-2-yl]acetamide
CID 136883840
7-[(2-chloro-3-hydroxyphenyl)methyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864189
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-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136858434) is 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC[C@H](C(=O)N1CCc2c(nc(-c3cccnc3)[nH]c2=O)C1)n1cccn1.
What is the InChIKey of 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LYEFSVURLZPNBP-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-2-16(25-9-4-8-21-25)19(27)24-10-6-14-15(12-24)22-17(23-18(14)26)13-5-3-7-20-11-13/h3-5,7-9,11,16H,2,6,10,12H2,1H3,(H,22,23,26)/t16-/m1/s1.
What are the key properties of 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 364.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-pyrazol-1-ylbutanoyl]-2-pyridin-3-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136858434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).