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

C21H29N5OS — CID 92630034

IUPAC4-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
SMILESCCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3cnc(C)s3)nc21
InChIInChI=1S/C21H29N5OS/c1-4-10-26-19(27)9-8-17-14(2)23-20(24-21(17)26)18-7-5-6-11-25(18)13-16-12-22-15(3)28-16/h12,18H,4-11,13H2,1-3H3/t18-/m1/s1
InChIKeyMQCOYDQYZVQTBP-GOSISDBHSA-N
MW399.56 g/mol
LogP3.97
Rot. Bonds5

About 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

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 (PubChem CID 92630034) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID92630034
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC Name4-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
SMILESCCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3cnc(C)s3)nc21
InChIInChI=1S/C21H29N5OS/c1-4-10-26-19(27)9-8-17-14(2)23-20(24-21(17)26)18-7-5-6-11-25(18)13-16-12-22-15(3)28-16/h12,18H,4-11,13H2,1-3H3/t18-/m1/s1
InChIKeyMQCOYDQYZVQTBP-GOSISDBHSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[(2S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630123
2-[(2R)-1-[(6-methoxy-1H-indol-3-yl)methyl]piperidin-2-yl]-4-methyl-8-propyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630112
8-(cyclopropylmethyl)-2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260656
2-[(2R)-1-benzylpiperidin-2-yl]-4-methyl-8-(pyridin-2-ylmethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618628
4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630439
4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630438
8-benzyl-4-methyl-2-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629769
N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 95831231
N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 92630575
8-[(3-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268442
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
8-benzyl-2-[1-(cyclohexanecarbonyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268510

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCN1C(=O)CCc2c(C)nc([C@H]3CCCCN3Cc3cnc(C)s3)nc21.
What is the InChIKey of 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?
The InChIKey is MQCOYDQYZVQTBP-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-4-10-26-19(27)9-8-17-14(2)23-20(24-21(17)26)18-7-5-6-11-25(18)13-16-12-22-15(3)28-16/h12,18H,4-11,13H2,1-3H3/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 399.56 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92630034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).