N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine

C21H18FN3O — CID 71728544

IUPACN-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3n2C)c1
InChIInChI=1S/C21H18FN3O/c1-25-19-9-10-23-21(24-16-7-4-6-15(22)12-16)18(19)13-20(25)14-5-3-8-17(11-14)26-2/h3-13H,1-2H3,(H,23,24)
InChIKeyJIHUGQRITVKVQY-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.13
Rot. Bonds4

About N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine

N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71728544) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
PubChem CID71728544
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC NameN-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3n2C)c1
InChIInChI=1S/C21H18FN3O/c1-25-19-9-10-23-21(24-16-7-4-6-15(22)12-16)18(19)13-20(25)14-5-3-8-17(11-14)26-2/h3-13H,1-2H3,(H,23,24)
InChIKeyJIHUGQRITVKVQY-UHFFFAOYSA-N
XLogP5.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71728538
N-(4-fluorophenyl)-1-methyl-2-pyridin-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71729576
1-methyl-2-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 71448683
1-methyl-N-(4-phenoxyphenyl)-2-thiophen-3-ylpyrrolo[3,2-c]pyridin-4-amine
CID 71728682
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
N-(3-fluorophenyl)-7-methoxyquinolin-4-amine;N-propylthiohydroxylamine
CID 168886783
2-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71448856
N-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71729772
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71447602
2-(3-fluorophenyl)-N-(4-methoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
CID 71447355
2-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 155554853
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine (CID 71728544) is N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine is COc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3n2C)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is JIHUGQRITVKVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-25-19-9-10-23-21(24-16-7-4-6-15(22)12-16)18(19)13-20(25)14-5-3-8-17(11-14)26-2/h3-13H,1-2H3,(H,23,24).
What are the key properties of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine?
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 347.39 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71728544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).