2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C20H16FN3O — CID 58592899

IUPAC2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H16FN3O/c1-25-15-11-16(22)23-20-18(15)17(12-5-3-2-4-6-12)19(24-20)13-7-9-14(21)10-8-13/h2-11H,1H3,(H3,22,23,24)
InChIKeyPQTMRWNESSUOSY-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.63
Rot. Bonds3

About 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine

2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 58592899) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID58592899
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C20H16FN3O/c1-25-15-11-16(22)23-20-18(15)17(12-5-3-2-4-6-12)19(24-20)13-7-9-14(21)10-8-13/h2-11H,1H3,(H3,22,23,24)
InChIKeyPQTMRWNESSUOSY-UHFFFAOYSA-N
XLogP4.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 86580360
5-chloro-2-(4-fluorophenyl)-3-methoxyaniline
CID 90459925
5-(4-fluorophenyl)-4-methoxypyridin-2-amine
CID 171390992
5-bromo-3-(4-methoxyphenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 10429778
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
2-(4-fluorophenyl)-6-methoxypyrimidin-4-amine
CID 83864400
3-(4-fluorophenyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 45380717
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(3-fluoro-4-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135512514
5-(4-fluorophenyl)-4-(2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198769
6,7,15,16,24,25,33,34-octakis(2-methoxyphenoxy)-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
CID 177405011
N-(3-chlorophenyl)-1-(4,6-dimethoxy-2,3-diphenyl-1H-indol-7-yl)methanimine
CID 132990983
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-1,7-dihydropyrrolo[2,3-d]pyrimidine-2,4-dione
CID 16766751

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 58592899) is 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine is COc1cc(N)nc2[nH]c(-c3ccc(F)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is PQTMRWNESSUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-25-15-11-16(22)23-20-18(15)17(12-5-3-2-4-6-12)19(24-20)13-7-9-14(21)10-8-13/h2-11H,1H3,(H3,22,23,24).
What are the key properties of 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 333.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methoxy-3-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 58592899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).