6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one

C19H26N4O3 — CID 142602107

IUPAC6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCc1cc(C2CC2)nc2c(=O)n(C[C@@H](O)C[C@H]3NCCC[C@@H]3O)cnc12
InChIInChI=1S/C19H26N4O3/c1-11-7-14(12-4-5-12)22-18-17(11)21-10-23(19(18)26)9-13(24)8-15-16(25)3-2-6-20-15/h7,10,12-13,15-16,20,24-25H,2-6,8-9H2,1H3/t13-,15+,16-/m0/s1
InChIKeyRXXOKLGLNOEYDJ-IMJJTQAJSA-N
MW358.44 g/mol
LogP0.84
Rot. Bonds5

About 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one

6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one (PubChem CID 142602107) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one
PubChem CID142602107
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one
SMILESCc1cc(C2CC2)nc2c(=O)n(C[C@@H](O)C[C@H]3NCCC[C@@H]3O)cnc12
InChIInChI=1S/C19H26N4O3/c1-11-7-14(12-4-5-12)22-18-17(11)21-10-23(19(18)26)9-13(24)8-15-16(25)3-2-6-20-15/h7,10,12-13,15-16,20,24-25H,2-6,8-9H2,1H3/t13-,15+,16-/m0/s1
InChIKeyRXXOKLGLNOEYDJ-IMJJTQAJSA-N
XLogP0.84
TPSA100.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-(3-chlorophenyl)-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one
CID 142602083
6-bromo-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylquinazolin-4-one;hydrochloride
CID 161081269
6-chloro-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-7-methylquinazolin-4-one;hydrochloride
CID 159583169
6-(3,4-difluorophenyl)-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]pyrido[3,2-d]pyrimidin-4-one
CID 142602109
(2R,3S)-2-[3-(5-bromo-4-methylbenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
CID 126716041
7-bromo-6-chloro-3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one
CID 54772245
(2R,3S)-2-[3-(4,5-dichlorobenzimidazol-1-yl)-2-hydroxypropyl]piperidin-3-ol
CID 126716029
7-bromo-6-chloro-3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one;3-[(2R)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]quinazolin-4-one
CID 158153150
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-8-methyl-4-oxoquinazoline-6-carbonitrile;hydrochloride
CID 159592066
(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
CID 131020224
3-[(2R)-2-hydroxy-3-[(2R,3S)-3-phenylmethoxypiperidin-2-yl]propyl]quinazolin-4-one
CID 101467130
6-(3,4-difluorophenyl)-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]pyrido[3,2-d]pyrimidin-4-one;dihydrochloride
CID 157486151

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one (CID 142602107) is 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one is Cc1cc(C2CC2)nc2c(=O)n(C[C@@H](O)C[C@H]3NCCC[C@@H]3O)cnc12.
What is the InChIKey of 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one?
The InChIKey is RXXOKLGLNOEYDJ-IMJJTQAJSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-11-7-14(12-4-5-12)22-18-17(11)21-10-23(19(18)26)9-13(24)8-15-16(25)3-2-6-20-15/h7,10,12-13,15-16,20,24-25H,2-6,8-9H2,1H3/t13-,15+,16-/m0/s1.
What are the key properties of 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one?
6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(2S)-2-hydroxy-3-[(2R,3S)-3-hydroxypiperidin-2-yl]propyl]-8-methylpyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 142602107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).