1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone

C17H20N4O — CID 136567038

IUPAC1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1cnc2c(c1)N(C(=O)Cc1cn3c(n1)CCCC3)CC2
InChIInChI=1S/C17H20N4O/c1-12-8-15-14(18-10-12)5-7-21(15)17(22)9-13-11-20-6-3-2-4-16(20)19-13/h8,10-11H,2-7,9H2,1H3
InChIKeyUKIAMULZYYRREM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.05
Rot. Bonds2

About 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone

1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 136567038) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID136567038
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESCc1cnc2c(c1)N(C(=O)Cc1cn3c(n1)CCCC3)CC2
InChIInChI=1S/C17H20N4O/c1-12-8-15-14(18-10-12)5-7-21(15)17(22)9-13-11-20-6-3-2-4-16(20)19-13/h8,10-11H,2-7,9H2,1H3
InChIKeyUKIAMULZYYRREM-UHFFFAOYSA-N
XLogP2.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone (CID 136567038) is 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone is Cc1cnc2c(c1)N(C(=O)Cc1cn3c(n1)CCCC3)CC2.
What is the InChIKey of 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is UKIAMULZYYRREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-8-15-14(18-10-12)5-7-21(15)17(22)9-13-11-20-6-3-2-4-16(20)19-13/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone?
1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 296.37 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 136567038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).