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

C23H34N6O — CID 92629351

IUPAC2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3cnn(C)c3C)CC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C23H34N6O/c1-15(2)13-29-21(30)7-6-20-16(3)25-22(26-23(20)29)18-8-10-28(11-9-18)14-19-12-24-27(5)17(19)4/h12,15,18H,6-11,13-14H2,1-5H3
InChIKeyGSLJBDSCNUXHCU-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.14
Rot. Bonds5

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

2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 92629351) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID92629351
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C2CCN(Cc3cnn(C)c3C)CC2)nc2c1CCC(=O)N2CC(C)C
InChIInChI=1S/C23H34N6O/c1-15(2)13-29-21(30)7-6-20-16(3)25-22(26-23(20)29)18-8-10-28(11-9-18)14-19-12-24-27(5)17(19)4/h12,15,18H,6-11,13-14H2,1-5H3
InChIKeyGSLJBDSCNUXHCU-UHFFFAOYSA-N
XLogP3.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92621455
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
4-methyl-8-(2-methylpropyl)-2-[(3R)-pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95806228
4-methyl-8-(2-methylpropyl)-2-[(2S)-pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124939665
4,8-dimethyl-2-[1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-4-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629168
2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629195
2-[1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-3-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249395
8-benzyl-2-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249295
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-(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
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629649
4-methyl-8-(2-methylpropyl)-2-[(2S)-1-[4-(2-oxopyrrolidin-1-yl)butanoyl]pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630520

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 92629351) is 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1nc(C2CCN(Cc3cnn(C)c3C)CC2)nc2c1CCC(=O)N2CC(C)C.
What is the InChIKey of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GSLJBDSCNUXHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-15(2)13-29-21(30)7-6-20-16(3)25-22(26-23(20)29)18-8-10-28(11-9-18)14-19-12-24-27(5)17(19)4/h12,15,18H,6-11,13-14H2,1-5H3.
What are the key properties of 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 410.57 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-4-methyl-8-(2-methylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 92629351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).