(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide

C97H88Cl2F8N16O15 — CID 160742837

About (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide

(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide (PubChem CID 160742837) has the molecular formula C97H88Cl2F8N16O15 and a molecular weight of 1940.76 g/mol. Its IUPAC name is (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide.

Molecular Properties

• Compound Name: (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide
• PubChem CID: 160742837
• Molecular Formula: C97H88Cl2F8N16O15
• Molecular Weight: 1940.76 g/mol
• Exact Mass: 1938.59
• IUPAC Name: (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide
• SMILES: C[C@@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@H]1CO.C[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1CO.Cn1cc(-c2cc(C(N)=O)nc3c2C[C@H]2CC[C@@H]3O2)cn1.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.NC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.NC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1
• InChI: InChI=1S/2C17H16F2N2O3.2C16H13ClFN3O2.C16H14F2N2O3.C15H16N4O2/c2*1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-14(16(20)23)21-17(12)24-15(8)7-22;2*17-7-3-11(18)14(20-6-7)10-5-12(16(19)22)21-15-9(10)4-8-1-2-13(15)23-8;17-8-1-3-10(13(18)5-8)12-6-14(15(19)22)20-16-11(12)4-2-9(7-21)23-16;1-19-7-8(6-17-19)10-5-12(15(16)20)18-14-11(10)4-9-2-3-13(14)21-9/h2*2-3,5-6,8,15,22H,4,7H2,1H3,(H2,20,23);2*3,5-6,8,13H,1-2,4H2,(H2,19,22);1,3,5-6,9,21H,2,4,7H2,(H2,19,22);5-7,9,13H,2-4H2,1H3,(H2,16,20)/t2*8-,15+;2*8-,13+;9-;9-,13+/m101001/s1
• InChIKey: RVUSDPZCFRNVSA-PELYGMOASA-N
• XLogP: 12.91
• TPSA: 495.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1940.76
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide?

The IUPAC name of (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide (CID 160742837) is (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide.

What is the SMILES notation for (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide?

The canonical SMILES for (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide is C[C@@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@H]1CO.C[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1CO.Cn1cc(-c2cc(C(N)=O)nc3c2C[C@H]2CC[C@@H]3O2)cn1.NC(=O)c1cc(-c2ccc(F)cc2F)c2c(n1)O[C@H](CO)CC2.NC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@@H]1CC[C@H](C2)O1.NC(=O)c1cc(-c2ncc(Cl)cc2F)c2c(n1)[C@H]1CC[C@@H](C2)O1.

What is the InChIKey of (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide?

The InChIKey is RVUSDPZCFRNVSA-PELYGMOASA-N. The full InChI is InChI=1S/2C17H16F2N2O3.2C16H13ClFN3O2.C16H14F2N2O3.C15H16N4O2/c2*1-8-4-12-11(10-3-2-9(18)5-13(10)19)6-14(16(20)23)21-17(12)24-15(8)7-22;2*17-7-3-11(18)14(20-6-7)10-5-12(16(19)22)21-15-9(10)4-8-1-2-13(15)23-8;17-8-1-3-10(13(18)5-8)12-6-14(15(19)22)20-16-11(12)4-2-9(7-21)23-16;1-19-7-8(6-17-19)10-5-12(15(16)20)18-14-11(10)4-9-2-3-13(14)21-9/h2*2-3,5-6,8,15,22H,4,7H2,1H3,(H2,20,23);2*3,5-6,8,13H,1-2,4H2,(H2,19,22);1,3,5-6,9,21H,2,4,7H2,(H2,19,22);5-7,9,13H,2-4H2,1H3,(H2,16,20)/t2*8-,15+;2*8-,13+;9-;9-,13+/m101001/s1.

What are the key properties of (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide?

(1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide has a molecular weight of 1940.76 g/mol, XLogP of 12.91, 15 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,9R)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(1R,9S)-6-(5-chloro-3-fluoro-2-pyridinyl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide;(2S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2S,3S)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(2R,3R)-5-(2,4-difluorophenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide;(1S,9R)-6-(1-methylpyrazol-4-yl)-12-oxa-3-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4-carboxamide is sourced from PubChem (CID 160742837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).