N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline

C22H18FN3 — CID 89342714

IUPACN-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline
SMILESC=C(Cc1cccc(F)c1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H18FN3/c1-15(13-16-3-2-4-18(23)14-16)26-19-7-5-17(6-8-19)20-9-11-24-22-21(20)10-12-25-22/h2-12,14,26H,1,13H2,(H,24,25)
InChIKeyLJEUSHZKDLCZNR-UHFFFAOYSA-N
MW343.41 g/mol
LogP5.54
Rot. Bonds5

About N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline

N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline (PubChem CID 89342714) has the molecular formula C22H18FN3 and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline
PubChem CID89342714
Molecular FormulaC22H18FN3
Molecular Weight343.41 g/mol
Exact Mass343.15
IUPAC NameN-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline
SMILESC=C(Cc1cccc(F)c1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C22H18FN3/c1-15(13-16-3-2-4-18(23)14-16)26-19-7-5-17(6-8-19)20-9-11-24-22-21(20)10-12-25-22/h2-12,14,26H,1,13H2,(H,24,25)
InChIKeyLJEUSHZKDLCZNR-UHFFFAOYSA-N
XLogP5.54
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
CID 11999608
[3-[[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methylamino]phenyl]methanol
CID 24857339
1-ethyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]urea
CID 175807775
2-(dimethylamino)-3-phenyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840685
4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57482994
2-amino-3-hydroxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]prop-2-enamide
CID 175833948
(2S)-2-amino-3,3-dimethyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]butanamide
CID 165404879
4-[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 24857728
3-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 57482985
1-pyrrolidin-1-yl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
CID 175807639
1-(azetidin-1-yl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]ethanone
CID 175807892
4-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 66827127

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline?
The IUPAC name of N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline (CID 89342714) is N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline.
What is the SMILES notation for N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline?
The canonical SMILES for N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline is C=C(Cc1cccc(F)c1)Nc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline?
The InChIKey is LJEUSHZKDLCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3/c1-15(13-16-3-2-4-18(23)14-16)26-19-7-5-17(6-8-19)20-9-11-24-22-21(20)10-12-25-22/h2-12,14,26H,1,13H2,(H,24,25).
What are the key properties of N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline?
N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline has a molecular weight of 343.41 g/mol, XLogP of 5.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)prop-1-en-2-yl]-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)aniline is sourced from PubChem (CID 89342714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).