About (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
(3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 157426918) has the molecular formula C135H130F4N28O18
and a molecular weight of 2508.69 g/mol. Its IUPAC name is (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 157426918) is (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is C=C1CN(C)C(=O)[C@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c(CC)nccc32)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2O[C@@]2(C)C(C3)C2(F)F)c1.C=C1N(C)CC[C@@]1(O)C#Cc1cccc(-n2nc(C(N)=O)c3c2O[C@]2(C)C(C3)C2(F)F)c1.CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cc(CN5CCCC5)ccc43)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O.CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O.
What is the InChIKey of (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is BQBJXIVNLCVTHL-GRUJFPKPSA-N. The full InChI is InChI=1S/C26H27N5O3.2C23H22F2N4O3.C23H21N5O3.C20H21N5O3.C20H17N5O3/c1-29-14-11-26(34,25(29)33)10-9-18-5-4-6-20(15-18)31-22-8-7-19(17-30-12-2-3-13-30)16-21(22)23(28-31)24(27)32;2*1-13-22(31,9-10-28(13)3)8-7-14-5-4-6-15(11-14)29-20-16(18(27-29)19(26)30)12-17-21(2,32-20)23(17,24)25;1-4-17-19-18(9-11-25-17)28(26-20(19)21(24)29)16-7-5-6-15(12-16)8-10-23(31)14(2)13-27(3)22(23)30;2*1-24-11-9-20(28,19(24)27)8-6-13-7-10-22-16(12-13)25-15-5-3-2-4-14(15)17(23-25)18(21)26/h4-8,15-16,34H,2-3,11-14,17H2,1H3,(H2,27,32);2*4-6,11,17,31H,1,9-10,12H2,2-3H3,(H2,26,30);5-7,9,11-12,31H,2,4,13H2,1,3H3,(H2,24,29);7,10,12,28H,2-5,9,11H2,1H3,(H2,21,26);2-5,7,10,12,28H,9,11H2,1H3,(H2,21,26)/t26-;17?,21-,22+;17?,21-,22-;23-;2*20-/m010000/s1.
What are the key properties of (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
(3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 2508.69 g/mol, XLogP of 7.23, 15 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;(3R)-4,4-difluoro-10-[3-[2-[(3R)-3-hydroxy-1-methyl-2-methylidenepyrrolidin-3-yl]ethynyl]phenyl]-3-methyl-2-oxa-9,10-diazatricyclo[5.3.0.03,5]deca-1(7),8-diene-8-carboxamide;4-ethyl-1-[3-[2-[(3S)-3-hydroxy-1-methyl-4-methylidene-2-oxopyrrolidin-3-yl]ethynyl]phenyl]pyrazolo[4,3-c]pyridine-3-carboxamide;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-5-(pyrrolidin-1-ylmethyl)indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide;1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 157426918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).