(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one

C21H28N6O2 — CID 92562645

IUPAC(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
SMILESCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)n1nccc1C)C2
InChIInChI=1S/C21H28N6O2/c1-14-7-9-23-27(14)15(2)21(29)25-11-8-18-17(13-25)12-22-20(24-18)19-6-4-5-10-26(19)16(3)28/h7,9,12,15,19H,4-6,8,10-11,13H2,1-3H3/t15-,19+/m0/s1
InChIKeyJQDAQCSWUIDMBX-HNAYVOBHSA-N
MW396.50 g/mol
LogP2.20
Rot. Bonds3

About (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one

(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one (PubChem CID 92562645) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
PubChem CID92562645
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
SMILESCC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)n1nccc1C)C2
InChIInChI=1S/C21H28N6O2/c1-14-7-9-23-27(14)15(2)21(29)25-11-8-18-17(13-25)12-22-20(24-18)19-6-4-5-10-26(19)16(3)28/h7,9,12,15,19H,4-6,8,10-11,13H2,1-3H3/t15-,19+/m0/s1
InChIKeyJQDAQCSWUIDMBX-HNAYVOBHSA-N
XLogP2.20
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

(2R)-1-[2-[(2S)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 92562644
(2R)-1-[2-[(3S)-1-acetylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one
CID 92562650
2-(5-methylpyrazol-1-yl)-1-(2-pyrrolidin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propan-1-one
CID 110241032
1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 92562774
1-[2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92549532
1-[2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110240476
1-[2-[6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110240675
1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3,3-dimethylbutan-1-one
CID 110240662
1-[2-(1-acetylpiperidin-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-pyrazol-1-ylbutan-1-one
CID 110240685
1-[2-[(2S)-1-[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 98135305
(4S)-4-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl]-1-ethylpyrrolidin-2-one
CID 92591186
1-[2-[(2S)-1-acetylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(4-methylphenyl)ethanone
CID 92557772

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one (CID 92562645) is (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one is CC(=O)N1CCCC[C@@H]1c1ncc2c(n1)CCN(C(=O)[C@H](C)n1nccc1C)C2.
What is the InChIKey of (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
The InChIKey is JQDAQCSWUIDMBX-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-7-9-23-27(14)15(2)21(29)25-11-8-18-17(13-25)12-22-20(24-18)19-6-4-5-10-26(19)16(3)28/h7,9,12,15,19H,4-6,8,10-11,13H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one?
(2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one has a molecular weight of 396.50 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2R)-1-acetylpiperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(5-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 92562645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).