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

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Related Compounds

1-[(4-methoxyphenyl)methyl]pyrido[4,3-d][1,3]oxazine-2,4-dione
CID 59699622
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129071703
(5S)-7-[(4-methoxyphenyl)methyl]-5-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318084
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 59138906
methyl 2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindole-5-carboxylate
CID 58243740
(3E)-2-[(4-methoxyphenyl)methyl]-3-(2-methylpropylidene)pyrrolo[3,4-c]pyridin-1-one
CID 102425782
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
2-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-3H-isoindol-1-one
CID 58243705
1-[2-[(4-methoxyphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]cyclopropane-1-carbaldehyde
CID 59216387

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).