About 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 167541130) has the molecular formula C140H167ClF4N26O22S2
and a molecular weight of 2741.61 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate (CID 167541130) is 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1C2CCC1CN(c1cc3c(cn1)C[C@@H](NC(=O)OCc1ccccc1)CO3)C2.CC(C)(C)OC(=O)N1C2CCC1CN(c1ncc3c(c1F)OC[C@H](N)C3)C2.CC(C)(C)OC(=O)N1C2CCC1CN(c1ncc3c(c1F)OC[C@H](NC(=O)OCc1ccccc1)C3)C2.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(cnc(N5CC6CCC(C5)N6)c4F)C3)sc2n1.Cc1ccc2c(N)c(C(=O)N[C@H]3COc4c(cnc(N5CC6CCC(C5)N6C(=O)OC(C)(C)C)c4F)C3)sc2n1.O=C(N[C@H]1COc2cc(Cl)ncc2C1)OCc1ccccc1.
What is the InChIKey of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is BFAUVEAJJFVNKP-NKNHKWMDSA-N. The full InChI is InChI=1S/C28H33FN6O4S.C27H33FN4O5.C27H34N4O5.C23H25FN6O2S.C19H27FN4O3.C16H15ClN2O3/c1-14-5-8-19-21(30)23(40-26(19)32-14)25(36)33-16-9-15-10-31-24(20(29)22(15)38-13-16)34-11-17-6-7-18(12-34)35(17)27(37)39-28(2,3)4;1-27(2,3)37-26(34)32-20-9-10-21(32)14-31(13-20)24-22(28)23-18(12-29-24)11-19(16-35-23)30-25(33)36-15-17-7-5-4-6-8-17;1-27(2,3)36-26(33)31-21-9-10-22(31)15-30(14-21)24-12-23-19(13-28-24)11-20(17-34-23)29-25(32)35-16-18-7-5-4-6-8-18;1-11-2-5-16-18(25)20(33-23(16)27-11)22(31)29-15-6-12-7-26-21(17(24)19(12)32-10-15)30-8-13-3-4-14(9-30)28-13;1-19(2,3)27-18(25)24-13-4-5-14(24)9-23(8-13)17-15(20)16-11(7-22-17)6-12(21)10-26-16;17-15-7-14-12(8-18-15)6-13(10-21-14)19-16(20)22-9-11-4-2-1-3-5-11/h5,8,10,16-18H,6-7,9,11-13,30H2,1-4H3,(H,33,36);4-8,12,19-21H,9-11,13-16H2,1-3H3,(H,30,33);4-8,12-13,20-22H,9-11,14-17H2,1-3H3,(H,29,32);2,5,7,13-15,28H,3-4,6,8-10,25H2,1H3,(H,29,31);7,12-14H,4-6,8-10,21H2,1-3H3;1-5,7-8,13H,6,9-10H2,(H,19,20)/t16-,17?,18?;19-,20?,21?;20-,21?,22?;13?,14?,15-;12-,13?,14?;13-/m111111/s1.
What are the key properties of 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate?
3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 2741.61 g/mol, XLogP of 19.41, 18 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;benzyl N-[(3R)-7-chloro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-3-yl]carbamate;tert-butyl 3-[(3R)-3-amino-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-8-fluoro-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-8-fluoro-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3R)-3-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-pyrano[3,2-c]pyridin-7-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 167541130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).