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

C20H16FN3O — CID 71728538

IUPACN-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3[nH]2)c1
InChIInChI=1S/C20H16FN3O/c1-25-16-7-2-4-13(10-16)19-12-17-18(24-19)8-9-22-20(17)23-15-6-3-5-14(21)11-15/h2-12,24H,1H3,(H,22,23)
InChIKeySTFQNZKGRGJODG-UHFFFAOYSA-N
MW333.37 g/mol
LogP5.12
Rot. Bonds4

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

N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 71728538) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
PubChem CID71728538
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC NameN-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
SMILESCOc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3[nH]2)c1
InChIInChI=1S/C20H16FN3O/c1-25-16-7-2-4-13(10-16)19-12-17-18(24-19)8-9-22-20(17)23-15-6-3-5-14(21)11-15/h2-12,24H,1H3,(H,22,23)
InChIKeySTFQNZKGRGJODG-UHFFFAOYSA-N
XLogP5.12
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.37
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine (CID 71728538) is N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is COc1cccc(-c2cc3c(Nc4cccc(F)c4)nccc3[nH]2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is STFQNZKGRGJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-25-16-7-2-4-13(10-16)19-12-17-18(24-19)8-9-22-20(17)23-15-6-3-5-14(21)11-15/h2-12,24H,1H3,(H,22,23).
What are the key properties of N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine?
N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 333.37 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 71728538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).