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

C20H26N4O3 — CID 97143956

IUPAC9-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
SMILESCC(C)N1CCC[C@]2(CCN(Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O
InChIInChI=1S/C20H26N4O3/c1-14(2)23-9-4-6-20(19(23)27)7-10-22(13-20)12-15-11-17(26)24-8-3-5-16(25)18(24)21-15/h3,5,8,11,14,25H,4,6-7,9-10,12-13H2,1-2H3/t20-/m1/s1
InChIKeyXOFVBVFCUQKIIV-HXUWFJFHSA-N
MW370.45 g/mol
LogP1.62
Rot. Bonds3

About 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

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 (PubChem CID 97143956) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID97143956
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name9-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
SMILESCC(C)N1CCC[C@]2(CCN(Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O
InChIInChI=1S/C20H26N4O3/c1-14(2)23-9-4-6-20(19(23)27)7-10-22(13-20)12-15-11-17(26)24-8-3-5-16(25)18(24)21-15/h3,5,8,11,14,25H,4,6-7,9-10,12-13H2,1-2H3/t20-/m1/s1
InChIKeyXOFVBVFCUQKIIV-HXUWFJFHSA-N
XLogP1.62
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(5S)-2-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97152968
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
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
(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
2-ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
9-hydroxy-2-[[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 99990684
(5R)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97113837
2-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 97119587
9-hydroxy-2-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 124756634
(5S)-2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97141504
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N1CCC[C@]2(CCN(Cc3cc(=O)n4cccc(O)c4n3)C2)C1=O.
What is the InChIKey of 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?
The InChIKey is XOFVBVFCUQKIIV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)23-9-4-6-20(19(23)27)7-10-22(13-20)12-15-11-17(26)24-8-3-5-16(25)18(24)21-15/h3,5,8,11,14,25H,4,6-7,9-10,12-13H2,1-2H3/t20-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 370.45 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 97143956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).