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

C14H13ClN4O2 — CID 157248411

IUPAC2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccnc1Nc1cc(Cl)nc2c1C(=O)N(C)C2
InChIInChI=1S/C14H13ClN4O2/c1-19-7-9-12(14(19)20)8(6-11(15)17-9)18-13-10(21-2)4-3-5-16-13/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyWZNLLOMYRZUDIB-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.47
Rot. Bonds3

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

2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157248411) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID157248411
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCOc1cccnc1Nc1cc(Cl)nc2c1C(=O)N(C)C2
InChIInChI=1S/C14H13ClN4O2/c1-19-7-9-12(14(19)20)8(6-11(15)17-9)18-13-10(21-2)4-3-5-16-13/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyWZNLLOMYRZUDIB-UHFFFAOYSA-N
XLogP2.47
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-(difluoromethoxy)-4-(pyrrolidine-1-carbonyl)anilino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 157465751
4-(3-chloro-2-methoxyanilino)-6-methyl-2-[(5-methyl-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 146727779
2-chloro-4-(3-fluoro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-(3-fluoro-2-methoxyanilino)-2-[[6-(3-methoxyazetidin-1-yl)-2-pyridinyl]methyl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;6-(3-methoxyazetidin-1-yl)pyridin-2-amine
CID 163595747
2-chloro-4-(3-fluoro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;5-(difluoromethyl)-6-isocyanopyridin-2-amine;2-[[5-(difluoromethyl)-6-isocyano-2-pyridinyl]methyl]-4-(3-fluoro-2-methoxyanilino)-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162019461
3,5-dichloro-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
CID 154807827
7-methoxy-2-methyl-3H-isoindol-1-one
CID 84717848
N-(3-methoxy-2-pyridinyl)prop-2-ynamide
CID 131155873
N-[[3-(chloromethyl)phenyl]methyl]-3-methoxypyridin-2-amine
CID 113371329
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
3-[(3-methoxy-2-pyridinyl)amino]-1-methylpiperidine-2,6-dione
CID 113370978
9-amino-5-(2-fluoro-6-methoxyphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129986
9-amino-5-(2-methoxy-5-methylphenyl)-2-methyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 67487851

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 157248411) is 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is COc1cccnc1Nc1cc(Cl)nc2c1C(=O)N(C)C2.
What is the InChIKey of 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WZNLLOMYRZUDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-19-7-9-12(14(19)20)8(6-11(15)17-9)18-13-10(21-2)4-3-5-16-13/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 304.74 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-methoxy-2-pyridinyl)amino]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157248411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).