1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione

C21H27N5O3 — CID 176563494

IUPAC1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCC3(CCNCC3)OC2)c2ncc(N3CCC(=O)NC3=O)cc12
InChIInChI=1S/C21H27N5O3/c1-14-12-26(15-2-4-21(29-13-15)5-7-22-8-6-21)19-17(14)10-16(11-23-19)25-9-3-18(27)24-20(25)28/h10-12,15,22H,2-9,13H2,1H3,(H,24,27,28)
InChIKeyQKHYFCSZIYKVRG-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.26
Rot. Bonds2

About 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione

1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 176563494) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID176563494
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
SMILESCc1cn(C2CCC3(CCNCC3)OC2)c2ncc(N3CCC(=O)NC3=O)cc12
InChIInChI=1S/C21H27N5O3/c1-14-12-26(15-2-4-21(29-13-15)5-7-22-8-6-21)19-17(14)10-16(11-23-19)25-9-3-18(27)24-20(25)28/h10-12,15,22H,2-9,13H2,1H3,(H,24,27,28)
InChIKeyQKHYFCSZIYKVRG-UHFFFAOYSA-N
XLogP2.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[3-methyl-1-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176561743
tert-butyl 4-[[4-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176562621
4-[[9-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]-3-azaspiro[5.5]undecan-3-yl]methyl]-3,3-difluoroborinane-1-carbonitrile
CID 176563695
tert-butyl 4-[[(3S)-3-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-methylpyrrolo[2,3-b]pyridin-1-yl]pyrrolidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176562750
1-[1-[1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-yl]-3-methylindol-5-yl]-1,3-diazinane-2,4-dione
CID 176561856
tert-butyl 4-[[4-[3-cyclopropyl-5-(2,4-dioxo-1,3-diazinan-1-yl)pyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidine-1-carboxylate
CID 176563207
1-[1-[3-[[1-[5-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl]piperidin-4-yl]methyl]-3-azaspiro[5.5]undecan-9-yl]-3-methylpyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176563269
1-[1-[1-[[1-[2,5-dimethyl-4-[4-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]morpholin-2-yl]benzoyl]-4-fluoropiperidin-4-yl]methyl]piperidin-4-yl]-3-methylpyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176562715
1-[1-[1-[2-[4-[2-[5-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-fluorophenoxy]ethyl]piperazin-1-yl]ethyl]piperidin-4-yl]-3-methylpyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176563956
1-[1-[2-[[[1-[5-[3-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-fluorophenyl]piperidin-4-yl]methyl-ethylamino]methyl]-1,3-dioxan-5-yl]-3-methylpyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176563906
1-[1-[1-[[1-[4-[(2S)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]morpholin-2-yl]-3-methylbenzoyl]-4-fluoropiperidin-4-yl]methyl]piperidin-4-yl]-3-methylpyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 178074065
1-[1-[4-[[4-[4-[(2S)-4-[3-amino-6-(2-hydroxyphenyl)pyridazin-2-ium-4-yl]morpholin-2-yl]-2-methylbenzoyl]piperazin-1-yl]methyl]cyclohexyl]-3-methylpyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione
CID 176562511

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione (CID 176563494) is 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione is Cc1cn(C2CCC3(CCNCC3)OC2)c2ncc(N3CCC(=O)NC3=O)cc12.
What is the InChIKey of 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is QKHYFCSZIYKVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14-12-26(15-2-4-21(29-13-15)5-7-22-8-6-21)19-17(14)10-16(11-23-19)25-9-3-18(27)24-20(25)28/h10-12,15,22H,2-9,13H2,1H3,(H,24,27,28).
What are the key properties of 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione?
1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 397.48 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(1-oxa-9-azaspiro[5.5]undecan-3-yl)pyrrolo[2,3-b]pyridin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 176563494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).