5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C29H25F4N5O4 — CID 85470299

IUPAC5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12
InChIInChI=1S/C29H25F4N5O4/c1-34-25(40)21-19-8-18(16-7-20(26(41-2)35-12-16)24(39)38-28-9-14(10-28)11-28)23(36-13-29(31,32)33)37-27(19)42-22(21)15-3-5-17(30)6-4-15/h3-8,12,14H,9-11,13H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyZUTQHRFZSWAHKB-UHFFFAOYSA-N
MW583.54 g/mol
LogP5.32
Rot. Bonds8

About 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85470299) has the molecular formula C29H25F4N5O4 and a molecular weight of 583.54 g/mol. Its IUPAC name is 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID85470299
Molecular FormulaC29H25F4N5O4
Molecular Weight583.54 g/mol
Exact Mass583.18
IUPAC Name5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12
InChIInChI=1S/C29H25F4N5O4/c1-34-25(40)21-19-8-18(16-7-20(26(41-2)35-12-16)24(39)38-28-9-14(10-28)11-28)23(36-13-29(31,32)33)37-27(19)42-22(21)15-3-5-17(30)6-4-15/h3-8,12,14H,9-11,13H2,1-2H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyZUTQHRFZSWAHKB-UHFFFAOYSA-N
XLogP5.32
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.54
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 85470299) is 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12.
What is the InChIKey of 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is ZUTQHRFZSWAHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F4N5O4/c1-34-25(40)21-19-8-18(16-7-20(26(41-2)35-12-16)24(39)38-28-9-14(10-28)11-28)23(36-13-29(31,32)33)37-27(19)42-22(21)15-3-5-17(30)6-4-15/h3-8,12,14H,9-11,13H2,1-2H3,(H,34,40)(H,36,37)(H,38,39).
What are the key properties of 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 583.54 g/mol, XLogP of 5.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85470299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).