(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C15H13N3O2 — CID 104784944

IUPAC(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3ncccc23)ccc1N
InChIInChI=1S/C15H13N3O2/c1-20-13-7-9(4-5-12(13)16)14(19)11-8-18-15-10(11)3-2-6-17-15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXZFXSGWDRCNSKA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.38
Rot. Bonds3

About (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 104784944) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID104784944
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCOc1cc(C(=O)c2c[nH]c3ncccc23)ccc1N
InChIInChI=1S/C15H13N3O2/c1-20-13-7-9(4-5-12(13)16)14(19)11-8-18-15-10(11)3-2-6-17-15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXZFXSGWDRCNSKA-UHFFFAOYSA-N
XLogP2.38
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 62919036
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626921
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58086108
1-(3,4-dimethoxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 58087732
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
1H-pyrrolo[2,3-b]pyridin-3-yl-(3,4,5-trifluorophenyl)methanone
CID 63187542
(2-amino-6-ethoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81398066
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
(3-amino-4-methoxyphenyl)-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 115512784
(3-amino-6-chloro-2-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 68670468

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 104784944) is (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is COc1cc(C(=O)c2c[nH]c3ncccc23)ccc1N.
What is the InChIKey of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is XZFXSGWDRCNSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-13-7-9(4-5-12(13)16)14(19)11-8-18-15-10(11)3-2-6-17-15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
(4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 267.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methoxyphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 104784944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).