tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C35H37F2N5O9 — CID 154940182

About tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 154940182) has the molecular formula C35H37F2N5O9 and a molecular weight of 709.70 g/mol. Its IUPAC name is tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• PubChem CID: 154940182
• Molecular Formula: C35H37F2N5O9
• Molecular Weight: 709.70 g/mol
• Exact Mass: 709.26
• IUPAC Name: tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
• SMILES: C=CC(=O)Nc1cncc(C)c1Nc1cc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C(=O)c3c(F)c(OC)cc(OC)c3F)oc2cn1
• InChI: InChI=1S/C35H37F2N5O9/c1-11-24(43)40-19-15-38-14-17(2)28(19)41-23-12-18-22(16-39-23)49-31(30(44)25-26(36)20(47-9)13-21(48-10)27(25)37)29(18)42(32(45)50-34(3,4)5)33(46)51-35(6,7)8/h11-16H,1H2,2-10H3,(H,40,43)(H,38,39,41)
• InChIKey: VEDGDYZBRORWSA-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 171.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	709.70
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The IUPAC name of tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 154940182) is tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The canonical SMILES for tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is C=CC(=O)Nc1cncc(C)c1Nc1cc2c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C(=O)c3c(F)c(OC)cc(OC)c3F)oc2cn1.

What is the InChIKey of tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

The InChIKey is VEDGDYZBRORWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37F2N5O9/c1-11-24(43)40-19-15-38-14-17(2)28(19)41-23-12-18-22(16-39-23)49-31(30(44)25-26(36)20(47-9)13-21(48-10)27(25)37)29(18)42(32(45)50-34(3,4)5)33(46)51-35(6,7)8/h11-16H,1H2,2-10H3,(H,40,43)(H,38,39,41).

What are the key properties of tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?

tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 709.70 g/mol, XLogP of 7.60, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(2,6-difluoro-3,5-dimethoxybenzoyl)-5-[[3-methyl-5-(prop-2-enoylamino)-4-pyridinyl]amino]furo[2,3-c]pyridin-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 154940182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).