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

C22H18N4O2 — CID 129073550

IUPAC6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2Cc3nc(-n4ccc5cnccc54)ccc3C2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-28-17-4-2-15(3-5-17)13-25-14-19-18(22(25)27)6-7-21(24-19)26-11-9-16-12-23-10-8-20(16)26/h2-12H,13-14H2,1H3
InChIKeyMDJMJOZAQKNAES-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.59
Rot. Bonds4

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

6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 129073550) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID129073550
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2Cc3nc(-n4ccc5cnccc54)ccc3C2=O)cc1
InChIInChI=1S/C22H18N4O2/c1-28-17-4-2-15(3-5-17)13-25-14-19-18(22(25)27)6-7-21(24-19)26-11-9-16-12-23-10-8-20(16)26/h2-12H,13-14H2,1H3
InChIKeyMDJMJOZAQKNAES-UHFFFAOYSA-N
XLogP3.59
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one 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 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 129073550) is 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(CN2Cc3nc(-n4ccc5cnccc54)ccc3C2=O)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MDJMJOZAQKNAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-17-4-2-15(3-5-17)13-25-14-19-18(22(25)27)6-7-21(24-19)26-11-9-16-12-23-10-8-20(16)26/h2-12H,13-14H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 370.41 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]-2-pyrrolo[3,2-c]pyridin-1-yl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129073550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).