4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C26H32N4O3 — CID 110261168

IUPAC4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5c(c4)CC(C)O5)CC3)nc21
InChIInChI=1S/C26H32N4O3/c1-4-11-30-23(31)8-6-21-17(3)27-24(28-25(21)30)18-9-12-29(13-10-18)26(32)19-5-7-22-20(15-19)14-16(2)33-22/h5,7,15-16,18H,4,6,8-14H2,1-3H3
InChIKeyKAUYPGGAHGYFJO-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.82
Rot. Bonds4

About 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 110261168) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID110261168
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5c(c4)CC(C)O5)CC3)nc21
InChIInChI=1S/C26H32N4O3/c1-4-11-30-23(31)8-6-21-17(3)27-24(28-25(21)30)18-9-12-29(13-10-18)26(32)19-5-7-22-20(15-19)14-16(2)33-22/h5,7,15-16,18H,4,6,8-14H2,1-3H3
InChIKeyKAUYPGGAHGYFJO-UHFFFAOYSA-N
XLogP3.82
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629151
2-[(3S)-1-[4-(dimethylamino)benzoyl]pyrrolidin-3-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124959517
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]-4-methyl-8-(3-methylbutyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249340
4-methyl-8-(2-phenylethyl)-2-[1-(1H-pyrazole-5-carbonyl)piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621325
8-[(3-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629196
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126427595
8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249359
4-methyl-8-(2-methylpropyl)-2-[1-[(2S)-2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629358
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
4-methyl-2-[(2R)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630034
4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 119073758

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 110261168) is 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is CCCN1C(=O)CCc2c(C)nc(C3CCN(C(=O)c4ccc5c(c4)CC(C)O5)CC3)nc21.
What is the InChIKey of 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KAUYPGGAHGYFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-4-11-30-23(31)8-6-21-17(3)27-24(28-25(21)30)18-9-12-29(13-10-18)26(32)19-5-7-22-20(15-19)14-16(2)33-22/h5,7,15-16,18H,4,6,8-14H2,1-3H3.
What are the key properties of 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.57 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-4-yl]-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 110261168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).