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

C16H15ClN2O2 — CID 129071703

IUPAC2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2Cc3nc(Cl)cc(C)c3C2=O)cc1
InChIInChI=1S/C16H15ClN2O2/c1-10-7-14(17)18-13-9-19(16(20)15(10)13)8-11-3-5-12(21-2)6-4-11/h3-7H,8-9H2,1-2H3
InChIKeyHIJWISPQYQVGSX-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.21
Rot. Bonds3

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

2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 129071703) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID129071703
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1ccc(CN2Cc3nc(Cl)cc(C)c3C2=O)cc1
InChIInChI=1S/C16H15ClN2O2/c1-10-7-14(17)18-13-9-19(16(20)15(10)13)8-11-3-5-12(21-2)6-4-11/h3-7H,8-9H2,1-2H3
InChIKeyHIJWISPQYQVGSX-UHFFFAOYSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-methoxy-7-methyl-3H-isoindol-1-one
CID 70315451
7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 177261613
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
6-fluoro-7-iodo-2-[(4-methoxyphenyl)methyl]-3H-isoindol-1-one
CID 130430905
9-amino-5-(2,5-difluoro-4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487453
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
6'-chloro-2'-[(4-methoxyphenyl)methyl]-4'-methylspiro[cyclohexane-1,1'-pyrrolo[3,4-c]pyridine]-3'-one
CID 129087816
6-[(2,4-dimethoxyphenyl)methyl]-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 159346135
5-bromo-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 11560384
6-bromo-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 174354616
2-[2-[(4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-5-yl]acetic acid
CID 174188826
2-benzyl-5-chloro-7-methyl-3H-isoindol-1-one;ethane
CID 90733514

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 129071703) is 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is COc1ccc(CN2Cc3nc(Cl)cc(C)c3C2=O)cc1.
What is the InChIKey of 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HIJWISPQYQVGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-10-7-14(17)18-13-9-19(16(20)15(10)13)8-11-3-5-12(21-2)6-4-11/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 302.76 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methoxyphenyl)methyl]-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129071703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).