methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate

C24H21FN4O3 — CID 59936492

IUPACmethyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCC(=O)Nc1nc2c(cc1C(=O)OC)c(-c1ccncc1)c(-c1ccc(F)cc1)n2C
InChIInChI=1S/C24H21FN4O3/c1-4-19(30)27-22-18(24(31)32-3)13-17-20(14-9-11-26-12-10-14)21(29(2)23(17)28-22)15-5-7-16(25)8-6-15/h5-13H,4H2,1-3H3,(H,27,28,30)
InChIKeyMNERHCKOFDSNLI-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.58
Rot. Bonds5

About methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate

methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 59936492) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID59936492
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Namemethyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCCC(=O)Nc1nc2c(cc1C(=O)OC)c(-c1ccncc1)c(-c1ccc(F)cc1)n2C
InChIInChI=1S/C24H21FN4O3/c1-4-19(30)27-22-18(24(31)32-3)13-17-20(14-9-11-26-12-10-14)21(29(2)23(17)28-22)15-5-7-16(25)8-6-15/h5-13H,4H2,1-3H3,(H,27,28,30)
InChIKeyMNERHCKOFDSNLI-UHFFFAOYSA-N
XLogP4.58
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(5-acrylamido-2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 118705186
ethyl 4-[4-methyl-3-(prop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599594
Jak3-IN-6
CID 89629876
methyl 3-[[4-[(dimethylamino)methyl]-1-(5-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 122189174
Methyl 3-[2-(dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 10739343
Methyl 3-(4-fluorophenyl)-1-methyl-5-(piperidin-4-ylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419782
Methyl 3-(4-fluorophenyl)-1-methyl-5-(2-piperidin-1-ylethylamino)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 44419788
3-(4-Fluorophenyl)-1-methyl-5-(1-piperazinyl)-4-(4-pyridinyl)-1H-pyrrole-2-carboxylic acid methyl ester
CID 44419820
Methyl 2-fluoro-6-[3-fluoro-4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzoate
CID 71449505
methyl 5-[[2-methyl-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903082
methyl 5-[[2-methyl-5-[(5-methylpyridine-3-carbonyl)amino]phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 76903275
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate (CID 59936492) is methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate is CCC(=O)Nc1nc2c(cc1C(=O)OC)c(-c1ccncc1)c(-c1ccc(F)cc1)n2C.
What is the InChIKey of methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is MNERHCKOFDSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-4-19(30)27-22-18(24(31)32-3)13-17-20(14-9-11-26-12-10-14)21(29(2)23(17)28-22)15-5-7-16(25)8-6-15/h5-13H,4H2,1-3H3,(H,27,28,30).
What are the key properties of methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 432.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-1-methyl-6-(propanoylamino)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 59936492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).