(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C21H26N4O3 — CID 97154265

IUPAC(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(Cc3cc(=O)n4cccc(O)c4n3)C2)CN1C1CC1
InChIInChI=1S/C21H26N4O3/c26-17-3-1-10-24-19(28)11-15(22-20(17)24)12-23-9-2-7-21(13-23)8-6-18(27)25(14-21)16-4-5-16/h1,3,10-11,16,26H,2,4-9,12-14H2/t21-/m0/s1
InChIKeySXAGDKYOBJDUQX-NRFANRHFSA-N
MW382.46 g/mol
LogP1.77
Rot. Bonds3

About (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97154265) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID97154265
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(Cc3cc(=O)n4cccc(O)c4n3)C2)CN1C1CC1
InChIInChI=1S/C21H26N4O3/c26-17-3-1-10-24-19(28)11-15(22-20(17)24)12-23-9-2-7-21(13-23)8-6-18(27)25(14-21)16-4-5-16/h1,3,10-11,16,26H,2,4-9,12-14H2/t21-/m0/s1
InChIKeySXAGDKYOBJDUQX-NRFANRHFSA-N
XLogP1.77
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-cyclopropyl-8-[(3-hydroxyphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70749704
9-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 121385010
2-cyclopropyl-8-[(1-methylindol-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70766870
2-cyclopropyl-8-[(3-pyrazol-1-ylphenyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70706816
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
9-hydroxy-2-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 124756634
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
2-cyclopentyl-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70732483
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
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
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

Frequently Asked Questions

What is the IUPAC name of (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (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) is (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(Cc3cc(=O)n4cccc(O)c4n3)C2)CN1C1CC1.
What is the InChIKey of (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is SXAGDKYOBJDUQX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-17-3-1-10-24-19(28)11-15(22-20(17)24)12-23-9-2-7-21(13-23)8-6-18(27)25(14-21)16-4-5-16/h1,3,10-11,16,26H,2,4-9,12-14H2/t21-/m0/s1.
What are the key properties of (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.46 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-cyclopropyl-8-[(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97154265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).