(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C18H22N4O3 — CID 164689523

IUPAC(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cccn2cc(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)nc12
InChIInChI=1S/C18H22N4O3/c1-12-4-2-8-21-10-13(20-15(12)21)16(24)22-9-5-14(23)18(11-22)6-3-7-19-17(18)25/h2,4,8,10,14,23H,3,5-7,9,11H2,1H3,(H,19,25)/t14-,18-/m1/s1
InChIKeyWLFBRRPELRCSKI-RDTXWAMCSA-N
MW342.40 g/mol
LogP0.75
Rot. Bonds1

About (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164689523) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164689523
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cccn2cc(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)nc12
InChIInChI=1S/C18H22N4O3/c1-12-4-2-8-21-10-13(20-15(12)21)16(24)22-9-5-14(23)18(11-22)6-3-7-19-17(18)25/h2,4,8,10,14,23H,3,5-7,9,11H2,1H3,(H,19,25)/t14-,18-/m1/s1
InChIKeyWLFBRRPELRCSKI-RDTXWAMCSA-N
XLogP0.75
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164689523) is (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is Cc1cccn2cc(C(=O)N3CC[C@@H](O)[C@@]4(CCCNC4=O)C3)nc12.
What is the InChIKey of (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is WLFBRRPELRCSKI-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-4-2-8-21-10-13(20-15(12)21)16(24)22-9-5-14(23)18(11-22)6-3-7-19-17(18)25/h2,4,8,10,14,23H,3,5-7,9,11H2,1H3,(H,19,25)/t14-,18-/m1/s1.
What are the key properties of (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 342.40 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-hydroxy-8-(8-methylimidazo[1,2-a]pyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164689523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).