2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

C27H32N12O2S — CID 160777800

IUPAC2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(N)nc21.CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(SC)nc21.N
InChIInChI=1S/C14H15N5OS.C13H14N6O.H3N/c1-4-19-12-9(8(2)16-14(17-12)21-3)7-10(13(19)20)11-5-6-15-18-11;1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10;/h5-7H,4H2,1-3H3,(H,15,18);4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17);1H3
InChIKeyNVXTUAJAYVZPOH-UHFFFAOYSA-N
MW588.70 g/mol
LogP3.49
Rot. Bonds5

About 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one

2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160777800) has the molecular formula C27H32N12O2S and a molecular weight of 588.70 g/mol. Its IUPAC name is 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID160777800
Molecular FormulaC27H32N12O2S
Molecular Weight588.70 g/mol
Exact Mass588.25
IUPAC Name2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(N)nc21.CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(SC)nc21.N
InChIInChI=1S/C14H15N5OS.C13H14N6O.H3N/c1-4-19-12-9(8(2)16-14(17-12)21-3)7-10(13(19)20)11-5-6-15-18-11;1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10;/h5-7H,4H2,1-3H3,(H,15,18);4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17);1H3
InChIKeyNVXTUAJAYVZPOH-UHFFFAOYSA-N
XLogP3.49
TPSA213.94 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 53.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Launch Full Analysis

Related Compounds

8-ethyl-4-methyl-2-methylsulfanyl-6-(4-propyl-1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one
CID 143442587
CID 90048869
CID 90048869
2-amino-8-ethyl-6-(1H-imidazol-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-(1H-imidazol-5-yl)-4-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 158398309
2-amino-8-ethyl-6-(2-fluoro-3,5-dimethylcyclohexen-1-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 137384075
2-amino-6-bromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;6-bromo-8-ethyl-2-(4-imidazol-1-ylanilino)-4-methylpyrido[2,3-d]pyrimidin-7-one;2,6-dibromo-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-(4-imidazol-1-ylanilino)-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;4-imidazol-1-ylaniline;1H-pyrazol-5-ylboronic acid
CID 158313133
CID 89085130
CID 89085130
2-amino-8-(2-fluoro-2-methylpropyl)-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258865
8-ethyl-6-(2-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 102178580
2-amino-6-bromo-8-(2-ethoxyethyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 71129506
2-[8-ethyl-2-(ethylamino)-4-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrole-1-carboxylic acid
CID 57448711
2-methyl-3-(1H-pyrazol-5-yl)quinoline
CID 72698950
3-(6-amino-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 80891780

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one (CID 160777800) is 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(N)nc21.CCn1c(=O)c(-c2ccn[nH]2)cc2c(C)nc(SC)nc21.N.
What is the InChIKey of 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NVXTUAJAYVZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS.C13H14N6O.H3N/c1-4-19-12-9(8(2)16-14(17-12)21-3)7-10(13(19)20)11-5-6-15-18-11;1-3-19-11-8(7(2)16-13(14)17-11)6-9(12(19)20)10-4-5-15-18-10;/h5-7H,4H2,1-3H3,(H,15,18);4-6H,3H2,1-2H3,(H,15,18)(H2,14,16,17);1H3.
What are the key properties of 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 588.70 g/mol, XLogP of 3.49, 5 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one;azane;8-ethyl-4-methyl-2-methylsulfanyl-6-(1H-pyrazol-5-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160777800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).