About (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
(1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167550650) has the molecular formula C124H135F9N22O13S3
and a molecular weight of 2408.77 g/mol. Its IUPAC name is (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167550650) is (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is CO[C@@H]1CC(c2ccc3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CO[C@H]1CN(c2cc(F)c3c(c2F)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.Cc1cc(C(F)F)c2c(N)c(C(=O)N[C@H]3COc4cc(N5CC6CNCC(C5)O6)ccc4C3)sc2n1.O=C(N[C@H]1COc2c(F)c(N3CC4CCC(C4)C3)cc(F)c2C1)c1cnc2c(c1)[C@@H]1C[C@@H]1CN2.O=C(N[C@H]1COc2c(F)c(N3CC4CCC(C4)C3)cc(F)c2C1)c1cnc2c(c1)[C@H]1C[C@H]1CN2.
What is the InChIKey of (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is CIYMFYIRQYYYAJ-YIQDFNMHSA-N. The full InChI is InChI=1S/2C26H28F2N4O2.C25H27F2N5O3S.C24H27FN4O3S.C23H25F2N5O3S/c2*27-21-7-22(32-10-13-1-2-14(3-13)11-32)23(28)24-20(21)6-17(12-34-24)31-26(33)16-5-19-18-4-15(18)8-29-25(19)30-9-16;1-12-4-18(23(26)27)20-21(28)22(36-25(20)30-12)24(33)31-14-5-13-2-3-15(6-19(13)34-11-14)32-9-16-7-29-8-17(10-32)35-16;1-11-3-5-16-20(27)22(33-24(16)28-11)23(30)29-14-7-12-4-6-15(19(25)21(12)32-10-14)13-8-17(26)18(9-13)31-2;1-10-3-4-12-19(27)21(34-23(12)28-10)22(31)29-11-5-13-14(24)6-16(18(25)20(13)33-9-11)30-7-15(26)17(8-30)32-2/h2*5,7,9,13-15,17-18H,1-4,6,8,10-12H2,(H,29,30)(H,31,33);2-4,6,14,16-17,23,29H,5,7-11,28H2,1H3,(H,31,33);3-6,13-14,17-18H,7-10,26-27H2,1-2H3,(H,29,30);3-4,6,11,15,17H,5,7-9,26-27H2,1-2H3,(H,29,31)/t13?,14?,15-,17+,18-;13?,14?,15-,17-,18-;14-,16?,17?;13?,14-,17-,18-;11-,15+,17+/m01111/s1.
What are the key properties of (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
(1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 2408.77 g/mol, XLogP of 16.39, 18 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;(1aS,7bR)-N-[(3R)-7-(3-azabicyclo[3.2.1]octan-3-yl)-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[c][1,8]naphthyridine-6-carboxamide;3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-methoxycyclopentyl]-8-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(3R)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,8-difluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-4-(difluoromethyl)-6-methyl-N-[(3R)-7-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167550650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).