2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C14H12N4O — CID 11557879

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc4[nH]ccc34)cc21
InChIInChI=1S/C14H12N4O/c19-14-10-7-12(18-11(10)3-6-17-14)8-1-4-15-13-9(8)2-5-16-13/h1-2,4-5,7,18H,3,6H2,(H,15,16)(H,17,19)
InChIKeyAFWVTAGILHVGGN-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.84
Rot. Bonds1

About 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 11557879) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID11557879
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc4[nH]ccc34)cc21
InChIInChI=1S/C14H12N4O/c19-14-10-7-12(18-11(10)3-6-17-14)8-1-4-15-13-9(8)2-5-16-13/h1-2,4-5,7,18H,3,6H2,(H,15,16)(H,17,19)
InChIKeyAFWVTAGILHVGGN-UHFFFAOYSA-N
XLogP1.84
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

Alosetron
CID 2099
Alosetron Hydrochloride
CID 60758
1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Y-39983
CID 11507964
Plx8394
CID 90116675
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(1H-indol-3-yl)-5-methyl-
CID 466843
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11185393
2-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11207259

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 11557879) is 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc4[nH]ccc34)cc21.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is AFWVTAGILHVGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14-10-7-12(18-11(10)3-6-17-14)8-1-4-15-13-9(8)2-5-16-13/h1-2,4-5,7,18H,3,6H2,(H,15,16)(H,17,19).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 252.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 11557879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).