2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

C19H25N3O5 — CID 163308338

IUPAC2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@]1(O)CCOC2(CCN(Cc3cc(=O)n4cccc(O)c4n3)CC2)[C@H]1O
InChIInChI=1S/C19H25N3O5/c1-18(26)6-10-27-19(17(18)25)4-8-21(9-5-19)12-13-11-15(24)22-7-2-3-14(23)16(22)20-13/h2-3,7,11,17,23,25-26H,4-6,8-10,12H2,1H3/t17-,18+/m0/s1
InChIKeyQDZFIXHGWAUJLC-ZWKOTPCHSA-N
MW375.43 g/mol
LogP0.27
Rot. Bonds2

About 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one

2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 163308338) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
PubChem CID163308338
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@]1(O)CCOC2(CCN(Cc3cc(=O)n4cccc(O)c4n3)CC2)[C@H]1O
InChIInChI=1S/C19H25N3O5/c1-18(26)6-10-27-19(17(18)25)4-8-21(9-5-19)12-13-11-15(24)22-7-2-3-14(23)16(22)20-13/h2-3,7,11,17,23,25-26H,4-6,8-10,12H2,1H3/t17-,18+/m0/s1
InChIKeyQDZFIXHGWAUJLC-ZWKOTPCHSA-N
XLogP0.27
TPSA107.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
9-hydroxy-2-[[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97143956
2-[[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 97199455
9-hydroxy-2-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 124756634
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
(4R,5S)-9-[(3-chloro-5-fluorophenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol
CID 135088387
9-hydroxy-2-[[(1S,5R)-6-(3-methylbut-2-enyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 72866038
(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97154265
(4R,5S)-9-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undecane-4,5-diol;formic acid
CID 154918206
2-[[(3aR,6R,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 118785076
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[(2,2-dimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86984153

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one (CID 163308338) is 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is C[C@@]1(O)CCOC2(CCN(Cc3cc(=O)n4cccc(O)c4n3)CC2)[C@H]1O.
What is the InChIKey of 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QDZFIXHGWAUJLC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-18(26)6-10-27-19(17(18)25)4-8-21(9-5-19)12-13-11-15(24)22-7-2-3-14(23)16(22)20-13/h2-3,7,11,17,23,25-26H,4-6,8-10,12H2,1H3/t17-,18+/m0/s1.
What are the key properties of 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one?
2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 375.43 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 163308338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).