4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C15H15N3O — CID 82376081

IUPAC4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2ccnc3[nH]cc(N)c23)cc1C
InChIInChI=1S/C15H15N3O/c1-9-7-10(3-4-13(9)19-2)11-5-6-17-15-14(11)12(16)8-18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyNBSDPQNTQDWAAH-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.13
Rot. Bonds2

About 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine

4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 82376081) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID82376081
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCOc1ccc(-c2ccnc3[nH]cc(N)c23)cc1C
InChIInChI=1S/C15H15N3O/c1-9-7-10(3-4-13(9)19-2)11-5-6-17-15-14(11)12(16)8-18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyNBSDPQNTQDWAAH-UHFFFAOYSA-N
XLogP3.13
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 82376080
4-(2,4-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 71120523
4-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-ethoxyaniline
CID 173165419
2-methoxy-5-(3-methyl-4-pyridinyl)aniline
CID 66278830
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
[3-(4-methoxy-3-methylphenyl)pyrazin-2-yl]methanamine
CID 82474052
3-(4-methoxy-3-methylphenyl)-4-methylaniline
CID 55202323
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
4-(4-methoxyphenyl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-amine
CID 82375459
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 82376081) is 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is COc1ccc(-c2ccnc3[nH]cc(N)c23)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is NBSDPQNTQDWAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-7-10(3-4-13(9)19-2)11-5-6-17-15-14(11)12(16)8-18-15/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine?
4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 82376081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).