3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide

C24H25FN4O2 — CID 90421317

IUPAC3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide
SMILESCNC(=O)N1C2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)CC1CCC2
InChIInChI=1S/C24H25FN4O2/c1-26-24(30)29-16-4-3-5-17(29)11-14(10-16)21-13-20-18(8-9-27-23(20)28-21)19-12-15(25)6-7-22(19)31-2/h6-10,12-13,16-17H,3-5,11H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyUJJYXASLXZTJEA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.73
Rot. Bonds3

About 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide

3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide (PubChem CID 90421317) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide.

Molecular Properties

Compound Name3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide
PubChem CID90421317
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide
SMILESCNC(=O)N1C2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)CC1CCC2
InChIInChI=1S/C24H25FN4O2/c1-26-24(30)29-16-4-3-5-17(29)11-14(10-16)21-13-20-18(8-9-27-23(20)28-21)19-12-15(25)6-7-22(19)31-2/h6-10,12-13,16-17H,3-5,11H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyUJJYXASLXZTJEA-UHFFFAOYSA-N
XLogP4.73
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide with MolForge

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Related Compounds

3-[3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-8-azabicyclo[3.2.1]oct-2-en-8-yl]propane-1,2-diol
CID 90421476
N-cyclohexyl-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 90421015
N-cyano-5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 90420560
1-[2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylurea
CID 90419827
4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-one
CID 90413654
2-[(6R)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]acetic acid
CID 90419880
tert-butyl 3-[5-cyano-4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 90412294
[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1-methylsulfonyl-3,6-dihydro-2H-pyridin-2-yl]methanol;methanesulfonyl chloride
CID 161216939
2-[5-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 90412597
2-[4-[(1S)-4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]piperidin-1-yl]acetic acid
CID 118897322
methyl 2-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]acetate
CID 139208113
N-[4-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-en-1-yl]-2-hydroxyacetamide
CID 90419996

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide?
The IUPAC name of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide (CID 90421317) is 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide.
What is the SMILES notation for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide?
The canonical SMILES for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide is CNC(=O)N1C2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)CC1CCC2.
What is the InChIKey of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide?
The InChIKey is UJJYXASLXZTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-26-24(30)29-16-4-3-5-17(29)11-14(10-16)21-13-20-18(8-9-27-23(20)28-21)19-12-15(25)6-7-22(19)31-2/h6-10,12-13,16-17H,3-5,11H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide?
3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methyl-9-azabicyclo[3.3.1]non-2-ene-9-carboxamide is sourced from PubChem (CID 90421317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).