5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone

C19H15N5O2 — CID 164609015

IUPAC5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone
SMILESCOc1ccc2c(c1)nc1nc(C(=O)N3Cc4cccnc4C3)ccn12
InChIInChI=1S/C19H15N5O2/c1-26-13-4-5-17-15(9-13)22-19-21-14(6-8-24(17)19)18(25)23-10-12-3-2-7-20-16(12)11-23/h2-9H,10-11H2,1H3
InChIKeyGAPJAMUBIXSXHK-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.44
Rot. Bonds2

About 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone

5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone (PubChem CID 164609015) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone.

Molecular Properties

Compound Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone
PubChem CID164609015
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone
SMILESCOc1ccc2c(c1)nc1nc(C(=O)N3Cc4cccnc4C3)ccn12
InChIInChI=1S/C19H15N5O2/c1-26-13-4-5-17-15(9-13)22-19-21-14(6-8-24(17)19)18(25)23-10-12-3-2-7-20-16(12)11-23/h2-9H,10-11H2,1H3
InChIKeyGAPJAMUBIXSXHK-UHFFFAOYSA-N
XLogP2.44
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone?
The IUPAC name of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone (CID 164609015) is 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone.
What is the SMILES notation for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone?
The canonical SMILES for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone is COc1ccc2c(c1)nc1nc(C(=O)N3Cc4cccnc4C3)ccn12.
What is the InChIKey of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone?
The InChIKey is GAPJAMUBIXSXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-13-4-5-17-15(9-13)22-19-21-14(6-8-24(17)19)18(25)23-10-12-3-2-7-20-16(12)11-23/h2-9H,10-11H2,1H3.
What are the key properties of 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone?
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone has a molecular weight of 345.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(8-methoxypyrimido[1,2-a]benzimidazol-2-yl)methanone is sourced from PubChem (CID 164609015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).