[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C18H24N6O — CID 110268686

IUPAC[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nc(C2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCCN2C
InChIInChI=1S/C18H24N6O/c1-12-14-6-4-9-23(2)17(14)21-16(20-12)13-5-3-10-24(11-13)18(25)15-7-8-19-22-15/h7-8,13H,3-6,9-11H2,1-2H3,(H,19,22)
InChIKeyBGZVGXGHDBIMEI-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.91
Rot. Bonds2

About [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110268686) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110268686
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nc(C2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCCN2C
InChIInChI=1S/C18H24N6O/c1-12-14-6-4-9-23(2)17(14)21-16(20-12)13-5-3-10-24(11-13)18(25)15-7-8-19-22-15/h7-8,13H,3-6,9-11H2,1-2H3,(H,19,22)
InChIKeyBGZVGXGHDBIMEI-UHFFFAOYSA-N
XLogP1.91
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 110263455
1-[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110263503
1-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92622816
1-[(3S)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 92622635
8-(cyclohexylmethyl)-4-methyl-2-[(3S)-1-(1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124978079
[4-[8-[(4-fluorophenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 92623082
[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110248102
[3-[4-methyl-8-(2-phenylethyl)-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110268592
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
2-[(3R)-3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-N,N-diethylacetamide
CID 92636202
2-[1-(4-fluorobenzoyl)piperidin-3-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110268450
[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110118587

Frequently Asked Questions

What is the IUPAC name of [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110268686) is [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1nc(C2CCCN(C(=O)c3ccn[nH]3)C2)nc2c1CCCN2C.
What is the InChIKey of [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is BGZVGXGHDBIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12-14-6-4-9-23(2)17(14)21-16(20-12)13-5-3-10-24(11-13)18(25)15-7-8-19-22-15/h7-8,13H,3-6,9-11H2,1-2H3,(H,19,22).
What are the key properties of [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110268686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).