methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate

C24H20FN3O2 — CID 90152941

IUPACmethyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O2/c1-30-24(29)21-13-17(15-2-3-15)14-26-23(21)27-19-6-9-22-16(12-19)10-11-28(22)20-7-4-18(25)5-8-20/h4-15H,2-3H2,1H3,(H,26,27)
InChIKeyIPTSXLBWOJXGMD-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.57
Rot. Bonds5

About methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate

methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate (PubChem CID 90152941) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate
PubChem CID90152941
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Namemethyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H20FN3O2/c1-30-24(29)21-13-17(15-2-3-15)14-26-23(21)27-19-6-9-22-16(12-19)10-11-28(22)20-7-4-18(25)5-8-20/h4-15H,2-3H2,1H3,(H,26,27)
InChIKeyIPTSXLBWOJXGMD-UHFFFAOYSA-N
XLogP5.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate (CID 90152941) is methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate is COC(=O)c1cc(C2CC2)cnc1Nc1ccc2c(ccn2-c2ccc(F)cc2)c1.
What is the InChIKey of methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate?
The InChIKey is IPTSXLBWOJXGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-30-24(29)21-13-17(15-2-3-15)14-26-23(21)27-19-6-9-22-16(12-19)10-11-28(22)20-7-4-18(25)5-8-20/h4-15H,2-3H2,1H3,(H,26,27).
What are the key properties of methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate?
methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-2-[[1-(4-fluorophenyl)indol-5-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 90152941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).