8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C19H28N4O3S — CID 110261130

IUPAC8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCS(=O)(=O)N1CCCC(c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1
InChIInChI=1S/C19H28N4O3S/c1-3-27(25,26)22-10-4-5-15(12-22)18-20-13(2)16-8-9-17(24)23(19(16)21-18)11-14-6-7-14/h14-15H,3-12H2,1-2H3
InChIKeyFMNWZIZUTWDRSF-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.00
Rot. Bonds5

About 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110261130) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110261130
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCS(=O)(=O)N1CCCC(c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1
InChIInChI=1S/C19H28N4O3S/c1-3-27(25,26)22-10-4-5-15(12-22)18-20-13(2)16-8-9-17(24)23(19(16)21-18)11-14-6-7-14/h14-15H,3-12H2,1-2H3
InChIKeyFMNWZIZUTWDRSF-UHFFFAOYSA-N
XLogP2.00
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(cyclopropylmethyl)-4-methyl-2-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261011
2-(1-ethylsulfonylpiperidin-3-yl)-8-[(2-fluorophenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261132
N-[2-[(3R)-3-[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92630165
8-(cyclopropylmethyl)-2-[(3R)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831238
2-(1-ethylsulfonylpyrrolidin-3-yl)-8-[2-(2-fluorophenyl)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249417
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629310
8-(cyclohexylmethyl)-2-[(3S)-1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 125014355
8-(cyclohexylmethyl)-2-[1-(2-cyclopentylacetyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127252287
N-[2-[(3R)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618742
N-[2-[(3S)-3-[8-(cyclohexylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 92618743
8-(cyclopropylmethyl)-2-[1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110261023
2-[(2R)-1-cyclopentylpiperidin-2-yl]-8-(cyclopropylmethyl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629990

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110261130) is 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCS(=O)(=O)N1CCCC(c2nc(C)c3c(n2)N(CC2CC2)C(=O)CC3)C1.
What is the InChIKey of 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FMNWZIZUTWDRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-3-27(25,26)22-10-4-5-15(12-22)18-20-13(2)16-8-9-17(24)23(19(16)21-18)11-14-6-7-14/h14-15H,3-12H2,1-2H3.
What are the key properties of 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 392.53 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropylmethyl)-2-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110261130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).