2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one

C20H20N6O2 — CID 58448772

IUPAC2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cc4ccccn4n3)ccn2)N=C1N
InChIInChI=1S/C20H20N6O2/c1-20(12-18(28)25(2)19(21)23-20)17-10-13(6-7-22-17)9-16(27)15-11-14-5-3-4-8-26(14)24-15/h3-8,10-11H,9,12H2,1-2H3,(H2,21,23)
InChIKeyLJGHKXAYANVTBI-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one

2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one (PubChem CID 58448772) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
PubChem CID58448772
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one
SMILESCN1C(=O)CC(C)(c2cc(CC(=O)c3cc4ccccn4n3)ccn2)N=C1N
InChIInChI=1S/C20H20N6O2/c1-20(12-18(28)25(2)19(21)23-20)17-10-13(6-7-22-17)9-16(27)15-11-14-5-3-4-8-26(14)24-15/h3-8,10-11H,9,12H2,1-2H3,(H2,21,23)
InChIKeyLJGHKXAYANVTBI-UHFFFAOYSA-N
XLogP1.55
TPSA105.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

2-amino-3,6-dimethyl-6-[3-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58449146
2-amino-3,6-dimethyl-6-[4-[2-(5-methyl-1,2-thiazol-3-yl)-2-oxoethyl]-2-pyridinyl]-5H-pyrimidin-4-one
CID 58449273
2-amino-6-[4-(2-imidazo[2,1-b][1,3]thiazol-6-yl-2-oxoethyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58449101
2-amino-6-[4-[2-(5-bromofuran-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448983
2-amino-6-[4-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 58448991
2-amino-3,6-dimethyl-6-[4-[2-oxo-2-[5-[(E)-pent-1-enyl]pyrazin-2-yl]ethyl]-2-pyridinyl]-5H-pyrimidin-4-one
CID 58448898
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 70234985
2-amino-3,6-dimethyl-6-[3-(2-oxo-2-quinolin-2-ylethyl)phenyl]-5H-pyrimidin-4-one
CID 58448779
(6S)-2-amino-6-[4-(3-aminophenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248111
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide
CID 70234249
(6R)-2-amino-6-indolizin-2-yl-3,6-dimethyl-5H-pyrimidin-4-one
CID 70129994
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-5-hydroxypyridine-2-carboxamide
CID 70233565

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one (CID 58448772) is 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one is CN1C(=O)CC(C)(c2cc(CC(=O)c3cc4ccccn4n3)ccn2)N=C1N.
What is the InChIKey of 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one?
The InChIKey is LJGHKXAYANVTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-20(12-18(28)25(2)19(21)23-20)17-10-13(6-7-22-17)9-16(27)15-11-14-5-3-4-8-26(14)24-15/h3-8,10-11H,9,12H2,1-2H3,(H2,21,23).
What are the key properties of 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one?
2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one has a molecular weight of 376.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-6-[4-(2-oxo-2-pyrazolo[1,5-a]pyridin-2-ylethyl)-2-pyridinyl]-5H-pyrimidin-4-one is sourced from PubChem (CID 58448772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).