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

C30H28F3N5O4 — CID 118682854

IUPAC5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12
InChIInChI=1S/C30H28F3N5O4/c1-15-4-6-17(7-5-15)23-22(26(40)34-2)20-9-19(24(37-28(20)42-23)36-14-30(31,32)33)18-8-21(27(41-3)35-13-18)25(39)38-29-10-16(11-29)12-29/h4-9,13,16H,10-12,14H2,1-3H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyTWTLQOAPGVNIIC-UHFFFAOYSA-N
MW579.58 g/mol
LogP5.49
Rot. Bonds8

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

5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 118682854) has the molecular formula C30H28F3N5O4 and a molecular weight of 579.58 g/mol. Its IUPAC name is 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-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]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID118682854
Molecular FormulaC30H28F3N5O4
Molecular Weight579.58 g/mol
Exact Mass579.21
IUPAC Name5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12
InChIInChI=1S/C30H28F3N5O4/c1-15-4-6-17(7-5-15)23-22(26(40)34-2)20-9-19(24(37-28(20)42-23)36-14-30(31,32)33)18-8-21(27(41-3)35-13-18)25(39)38-29-10-16(11-29)12-29/h4-9,13,16H,10-12,14H2,1-3H3,(H,34,40)(H,36,37)(H,38,39)
InChIKeyTWTLQOAPGVNIIC-UHFFFAOYSA-N
XLogP5.49
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.58
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-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]-N-methyl-2-(4-methylphenyl)-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]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 118682854) is 5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-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]-N-methyl-2-(4-methylphenyl)-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]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(C)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]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is TWTLQOAPGVNIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O4/c1-15-4-6-17(7-5-15)23-22(26(40)34-2)20-9-19(24(37-28(20)42-23)36-14-30(31,32)33)18-8-21(27(41-3)35-13-18)25(39)38-29-10-16(11-29)12-29/h4-9,13,16H,10-12,14H2,1-3H3,(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]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 579.58 g/mol, XLogP of 5.49, 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]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 118682854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).