2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one

C23H30N4O3 — CID 171909665

IUPAC2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cccn2c(CC(=O)N3CCC4(CC3)CC(O)CN(CC3CC3)C4=O)cnc12
InChIInChI=1S/C23H30N4O3/c1-16-3-2-8-27-18(13-24-21(16)27)11-20(29)25-9-6-23(7-10-25)12-19(28)15-26(22(23)30)14-17-4-5-17/h2-3,8,13,17,19,28H,4-7,9-12,14-15H2,1H3
InChIKeySICRDTUPIGGANE-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.80
Rot. Bonds4

About 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one

2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 171909665) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID171909665
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one
SMILESCc1cccn2c(CC(=O)N3CCC4(CC3)CC(O)CN(CC3CC3)C4=O)cnc12
InChIInChI=1S/C23H30N4O3/c1-16-3-2-8-27-18(13-24-21(16)27)11-20(29)25-9-6-23(7-10-25)12-19(28)15-26(22(23)30)14-17-4-5-17/h2-3,8,13,17,19,28H,4-7,9-12,14-15H2,1H3
InChIKeySICRDTUPIGGANE-UHFFFAOYSA-N
XLogP1.80
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 171908625
1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 70725070
1-[(3R,4R)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 133267825
1-[1-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880147
(5R)-3-methyl-7-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95714736
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 166257543
2-(cyclopropylmethyl)-4-hydroxy-9-(1,2-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 171915518
2-(cyclopropylmethyl)-4-hydroxy-9-[4-(1,2,4-triazol-1-yl)butanoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171910934
1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 155504883
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone
CID 163315758
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 56749622
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]ethanone
CID 166616819

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one (CID 171909665) is 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one is Cc1cccn2c(CC(=O)N3CCC4(CC3)CC(O)CN(CC3CC3)C4=O)cnc12.
What is the InChIKey of 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is SICRDTUPIGGANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16-3-2-8-27-18(13-24-21(16)27)11-20(29)25-9-6-23(7-10-25)12-19(28)15-26(22(23)30)14-17-4-5-17/h2-3,8,13,17,19,28H,4-7,9-12,14-15H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one?
2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 410.52 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-hydroxy-9-[2-(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 171909665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).