2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine

C27H22FN5 — CID 145251697

IUPAC2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine
SMILESC=C(c1cc2c(-c3ccc(F)cc3)ccnc2[nH]1)c1nc(-c2cnccc2C)ccc1NC
InChIInChI=1S/C27H22FN5/c1-16-10-12-30-15-22(16)23-8-9-24(29-3)26(32-23)17(2)25-14-21-20(11-13-31-27(21)33-25)18-4-6-19(28)7-5-18/h4-15,29H,2H2,1,3H3,(H,31,33)
InChIKeyAVTIYZDIBZWILV-UHFFFAOYSA-N
MW435.51 g/mol
LogP6.24
Rot. Bonds5

About 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine

2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine (PubChem CID 145251697) has the molecular formula C27H22FN5 and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine
PubChem CID145251697
Molecular FormulaC27H22FN5
Molecular Weight435.51 g/mol
Exact Mass435.19
IUPAC Name2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine
SMILESC=C(c1cc2c(-c3ccc(F)cc3)ccnc2[nH]1)c1nc(-c2cnccc2C)ccc1NC
InChIInChI=1S/C27H22FN5/c1-16-10-12-30-15-22(16)23-8-9-24(29-3)26(32-23)17(2)25-14-21-20(11-13-31-27(21)33-25)18-4-6-19(28)7-5-18/h4-15,29H,2H2,1,3H3,(H,31,33)
InChIKeyAVTIYZDIBZWILV-UHFFFAOYSA-N
XLogP6.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 137112404
3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-indazole
CID 137283179
3-[4-(4-fluorophenyl)-1H-indol-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137113403
3-[7-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137041930
N-methyl-2-(4-methyl-3-pyridinyl)pyridin-4-amine
CID 102824841
7-(4-fluorophenyl)-2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 136643021
3-[4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 152833329
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137111285
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
2-[[5-[3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 138603485
3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboximidoyl]-5-[(2E,4E)-5-(4-methylpent-1-en-2-ylamino)hepta-2,4,6-trien-3-yl]pyridin-2-amine
CID 145250531

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine (CID 145251697) is 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine is C=C(c1cc2c(-c3ccc(F)cc3)ccnc2[nH]1)c1nc(-c2cnccc2C)ccc1NC.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine?
The InChIKey is AVTIYZDIBZWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5/c1-16-10-12-30-15-22(16)23-8-9-24(29-3)26(32-23)17(2)25-14-21-20(11-13-31-27(21)33-25)18-4-6-19(28)7-5-18/h4-15,29H,2H2,1,3H3,(H,31,33).
What are the key properties of 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine?
2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine has a molecular weight of 435.51 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]ethenyl]-N-methyl-6-(4-methyl-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 145251697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).