2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone

C16H13N3OS — CID 75510227

IUPAC2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCc2cnccc21
InChIInChI=1S/C16H13N3OS/c20-16(19-9-4-12-11-17-6-3-13(12)19)15-14(5-10-21-15)18-7-1-2-8-18/h1-3,5-8,10-11H,4,9H2
InChIKeyLNZLDURYKRYXEP-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.14
Rot. Bonds2

About 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone

2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone (PubChem CID 75510227) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
PubChem CID75510227
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone
SMILESO=C(c1sccc1-n1cccc1)N1CCc2cnccc21
InChIInChI=1S/C16H13N3OS/c20-16(19-9-4-12-11-17-6-3-13(12)19)15-14(5-10-21-15)18-7-1-2-8-18/h1-3,5-8,10-11H,4,9H2
InChIKeyLNZLDURYKRYXEP-UHFFFAOYSA-N
XLogP3.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
(3,4-dihydroxypyrrolidin-1-yl)-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 106671096
(3-aminothiophen-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 61090033
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
[(3S)-3-hydroxypiperidin-1-yl]-(3-pyrrol-1-ylthiophen-2-yl)methanone
CID 107224289
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
2,2-dicyclopropyl-1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 75502685
1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388352
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 99715528
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(7-fluoroquinoxalin-5-yl)methanone
CID 75520175
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
CID 99576650

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The IUPAC name of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone (CID 75510227) is 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone.
What is the SMILES notation for 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The canonical SMILES for 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone is O=C(c1sccc1-n1cccc1)N1CCc2cnccc21.
What is the InChIKey of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
The InChIKey is LNZLDURYKRYXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-16(19-9-4-12-11-17-6-3-13(12)19)15-14(5-10-21-15)18-7-1-2-8-18/h1-3,5-8,10-11H,4,9H2.
What are the key properties of 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone?
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone has a molecular weight of 295.37 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(3-pyrrol-1-ylthiophen-2-yl)methanone is sourced from PubChem (CID 75510227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).