8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C23H24N6O2S — CID 92630270

IUPAC8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3csnn3)C2)nc2c1CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C23H24N6O2S/c1-15-18-9-10-20(30)29(12-16-6-3-2-4-7-16)22(18)25-21(24-15)17-8-5-11-28(13-17)23(31)19-14-32-27-26-19/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m1/s1
InChIKeyXAXRJRQDBKEHKC-QGZVFWFLSA-N
MW448.55 g/mol
LogP3.14
Rot. Bonds4

About 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92630270) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92630270
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3csnn3)C2)nc2c1CCC(=O)N2Cc1ccccc1
InChIInChI=1S/C23H24N6O2S/c1-15-18-9-10-20(30)29(12-16-6-3-2-4-7-16)22(18)25-21(24-15)17-8-5-11-28(13-17)23(31)19-14-32-27-26-19/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m1/s1
InChIKeyXAXRJRQDBKEHKC-QGZVFWFLSA-N
XLogP3.14
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631494
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324
8-benzyl-2-[1-[2-(diethylamino)acetyl]pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249359
7-benzyl-2-[1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261853
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629298
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629275
8-[(4-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-propanoylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831252
8-benzyl-2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249295
2-[(3S)-1-(2-methoxyacetyl)piperidin-3-yl]-8-[(4-methoxyphenyl)methyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630187
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629265
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
7-benzyl-2-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261867

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92630270) is 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc([C@@H]2CCCN(C(=O)c3csnn3)C2)nc2c1CCC(=O)N2Cc1ccccc1.
What is the InChIKey of 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XAXRJRQDBKEHKC-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-15-18-9-10-20(30)29(12-16-6-3-2-4-7-16)22(18)25-21(24-15)17-8-5-11-28(13-17)23(31)19-14-32-27-26-19/h2-4,6-7,14,17H,5,8-13H2,1H3/t17-/m1/s1.
What are the key properties of 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.55 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-methyl-2-[(3R)-1-(thiadiazole-4-carbonyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92630270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).