2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

C13H17ClN4O2 — CID 175924243

IUPAC2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC1(O)CCCN(c2nc(Cl)nc3c2CCNC3=O)C1
InChIInChI=1S/C13H17ClN4O2/c1-13(20)4-2-6-18(7-13)10-8-3-5-15-11(19)9(8)16-12(14)17-10/h20H,2-7H2,1H3,(H,15,19)
InChIKeyPAGATNKONUWIFR-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.77
Rot. Bonds1

About 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one

2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (PubChem CID 175924243) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.

Molecular Properties

Compound Name2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
PubChem CID175924243
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
SMILESCC1(O)CCCN(c2nc(Cl)nc3c2CCNC3=O)C1
InChIInChI=1S/C13H17ClN4O2/c1-13(20)4-2-6-18(7-13)10-8-3-5-15-11(19)9(8)16-12(14)17-10/h20H,2-7H2,1H3,(H,15,19)
InChIKeyPAGATNKONUWIFR-UHFFFAOYSA-N
XLogP0.77
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one with MolForge

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Related Compounds

2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylic acid
CID 175831054
1-(2-chloro-6-methyl-5-nitropyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 114043436
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
CID 107405815
(3R)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 164534628
4-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388187
2-cyclopropyl-4-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171386634
4-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171910206
4-(3-hydroxy-3-methylpiperidin-1-yl)-1H-pyridazin-6-one
CID 114393218
2-methyl-4-(3-morpholin-4-ylazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171388215
2-cyclopropyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171385438
2-cyclopropyl-4-(3-hydroxyazetidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171387613
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 102716221

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The IUPAC name of 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one (CID 175924243) is 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one.
What is the SMILES notation for 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The canonical SMILES for 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is CC1(O)CCCN(c2nc(Cl)nc3c2CCNC3=O)C1.
What is the InChIKey of 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
The InChIKey is PAGATNKONUWIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-13(20)4-2-6-18(7-13)10-8-3-5-15-11(19)9(8)16-12(14)17-10/h20H,2-7H2,1H3,(H,15,19).
What are the key properties of 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one?
2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one has a molecular weight of 296.76 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-hydroxy-3-methylpiperidin-1-yl)-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one is sourced from PubChem (CID 175924243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).