tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C82H80F20N12O12 — CID 161100936

About tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 161100936) has the molecular formula C82H80F20N12O12 and a molecular weight of 1805.57 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
• PubChem CID: 161100936
• Molecular Formula: C82H80F20N12O12
• Molecular Weight: 1805.57 g/mol
• Exact Mass: 1804.57
• IUPAC Name: tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
• SMILES: CC(C)(C)OC(=O)N(C[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F.CC(C)(C)OC(=O)N(C[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CNCC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2
• InChI: InChI=1S/2C23H24F5N3O4.2C18H16F5N3O2/c2*1-22(2,3)35-21(33)31(11-23(26,27)28)10-13-5-7-15-16(14-6-4-12(24)8-17(14)25)9-18(19(29)32)30-20(15)34-13;2*19-9-1-3-11(14(20)5-9)13-6-15(16(24)27)26-17-12(13)4-2-10(28-17)7-25-8-18(21,22)23/h2*4,6,8-9,13H,5,7,10-11H2,1-3H3,(H2,29,32);2*1,3,5-6,10,25H,2,4,7-8H2,(H2,24,27)/t2*13-;2*10-/m1010/s1
• InChIKey: UIKIZUHGZYIAIN-JOXMROLHSA-N
• XLogP: 15.18
• TPSA: 343.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1805.57
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

The IUPAC name of tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 161100936) is tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

What is the SMILES notation for tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

The canonical SMILES for tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is CC(C)(C)OC(=O)N(C[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F.CC(C)(C)OC(=O)N(C[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1)CC(F)(F)F.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@@H](CNCC(F)(F)F)CC2.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CNCC(F)(F)F)CC2.

What is the InChIKey of tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

The InChIKey is UIKIZUHGZYIAIN-JOXMROLHSA-N. The full InChI is InChI=1S/2C23H24F5N3O4.2C18H16F5N3O2/c2*1-22(2,3)35-21(33)31(11-23(26,27)28)10-13-5-7-15-16(14-6-4-12(24)8-17(14)25)9-18(19(29)32)30-20(15)34-13;2*19-9-1-3-11(14(20)5-9)13-6-15(16(24)27)26-17-12(13)4-2-10(28-17)7-25-8-18(21,22)23/h2*4,6,8-9,13H,5,7,10-11H2,1-3H3,(H2,29,32);2*1,3,5-6,10,25H,2,4,7-8H2,(H2,24,27)/t2*13-;2*10-/m1010/s1.

What are the key properties of tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?

tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 1805.57 g/mol, XLogP of 15.18, 20 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(2S)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;tert-butyl N-[[(2R)-7-carbamoyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-2-yl]methyl]-N-(2,2,2-trifluoroethyl)carbamate;(2S)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R)-5-(2,4-difluorophenyl)-2-[(2,2,2-trifluoroethylamino)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 161100936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).