(1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C104H111F3N20O9S3 — CID 167669252

IUPAC(1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCO[C@H]1CN(c2cc3c(c(F)c2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(c(F)c2C#N)C[C@@H](CC(=O)c2sc4nc(C)cnc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@@H]1N.N#Cc1c(N2CC3CCC(C3)C2)cc(F)c2c1CC[C@@H](NC(=O)c1cnc3c(c1)[C@H]1C[C@H]1CC3)C2
InChIInChI=1S/C29H31FN4O.C26H29N5O2S.C25H26FN5O3S.C24H25FN6O3S/c30-26-11-28(34-14-16-1-2-17(7-16)15-34)25(12-31)21-5-4-20(10-23(21)26)33-29(35)19-9-24-22-8-18(22)3-6-27(24)32-13-19;1-14-3-6-19-24(29)25(34-26(19)30-14)22(32)8-15-4-5-16-10-21(18(11-27)9-17(16)7-15)31-12-20(28)23(13-31)33-2;1-12-3-4-14-23(29)24(35-25(14)30-12)19(32)6-13-5-15-20(34-11-13)7-18(16(8-27)22(15)26)31-9-17(28)21(10-31)33-2;1-11-7-29-22-21(28)23(35-24(22)30-11)17(32)4-12-3-13-18(34-10-12)5-16(14(6-26)20(13)25)31-8-15(27)19(9-31)33-2/h9,11,13,16-18,20,22H,1-8,10,14-15H2,(H,33,35);3,6,9-10,15,20,23H,4-5,7-8,12-13,28-29H2,1-2H3;3-4,7,13,17,21H,5-6,9-11,28-29H2,1-2H3;5,7,12,15,19H,3-4,8-10,27-28H2,1-2H3/t16?,17?,18-,20-,22+;15-,20-,23-;13-,17-,21-;12-,15-,19-/m1000/s1
InChIKeyTWCDPLJBZJIWFG-YEWWIFJJSA-N
MW1938.36 g/mol
LogP14.03
Rot. Bonds18

About (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

(1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 167669252) has the molecular formula C104H111F3N20O9S3 and a molecular weight of 1938.36 g/mol. Its IUPAC name is (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name(1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID167669252
Molecular FormulaC104H111F3N20O9S3
Molecular Weight1938.36 g/mol
Exact Mass1936.80
IUPAC Name(1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCO[C@H]1CN(c2cc3c(c(F)c2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(c(F)c2C#N)C[C@@H](CC(=O)c2sc4nc(C)cnc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@@H]1N.N#Cc1c(N2CC3CCC(C3)C2)cc(F)c2c1CC[C@@H](NC(=O)c1cnc3c(c1)[C@H]1C[C@H]1CC3)C2
InChIInChI=1S/C29H31FN4O.C26H29N5O2S.C25H26FN5O3S.C24H25FN6O3S/c30-26-11-28(34-14-16-1-2-17(7-16)15-34)25(12-31)21-5-4-20(10-23(21)26)33-29(35)19-9-24-22-8-18(22)3-6-27(24)32-13-19;1-14-3-6-19-24(29)25(34-26(19)30-14)22(32)8-15-4-5-16-10-21(18(11-27)9-17(16)7-15)31-12-20(28)23(13-31)33-2;1-12-3-4-14-23(29)24(35-25(14)30-12)19(32)6-13-5-15-20(34-11-13)7-18(16(8-27)22(15)26)31-9-17(28)21(10-31)33-2;1-11-7-29-22-21(28)23(35-24(22)30-11)17(32)4-12-3-13-18(34-10-12)5-16(14(6-26)20(13)25)31-8-15(27)19(9-31)33-2/h9,11,13,16-18,20,22H,1-8,10,14-15H2,(H,33,35);3,6,9-10,15,20,23H,4-5,7-8,12-13,28-29H2,1-2H3;3-4,7,13,17,21H,5-6,9-11,28-29H2,1-2H3;5,7,12,15,19H,3-4,8-10,27-28H2,1-2H3/t16?,17?,18-,20-,22+;15-,20-,23-;13-,17-,21-;12-,15-,19-/m1000/s1
InChIKeyTWCDPLJBZJIWFG-YEWWIFJJSA-N
XLogP14.03
TPSA455.15 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds18
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001938.36
LogP ≤ 514.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 167669252) is (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CO[C@H]1CN(c2cc3c(c(F)c2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(c(F)c2C#N)C[C@@H](CC(=O)c2sc4nc(C)cnc4c2N)CO3)C[C@@H]1N.CO[C@H]1CN(c2cc3c(cc2C#N)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@@H]1N.N#Cc1c(N2CC3CCC(C3)C2)cc(F)c2c1CC[C@@H](NC(=O)c1cnc3c(c1)[C@H]1C[C@H]1CC3)C2.
What is the InChIKey of (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is TWCDPLJBZJIWFG-YEWWIFJJSA-N. The full InChI is InChI=1S/C29H31FN4O.C26H29N5O2S.C25H26FN5O3S.C24H25FN6O3S/c30-26-11-28(34-14-16-1-2-17(7-16)15-34)25(12-31)21-5-4-20(10-23(21)26)33-29(35)19-9-24-22-8-18(22)3-6-27(24)32-13-19;1-14-3-6-19-24(29)25(34-26(19)30-14)22(32)8-15-4-5-16-10-21(18(11-27)9-17(16)7-15)31-12-20(28)23(13-31)33-2;1-12-3-4-14-23(29)24(35-25(14)30-12)19(32)6-13-5-15-20(34-11-13)7-18(16(8-27)22(15)26)31-9-17(28)21(10-31)33-2;1-11-7-29-22-21(28)23(35-24(22)30-11)17(32)4-12-3-13-18(34-10-12)5-16(14(6-26)20(13)25)31-8-15(27)19(9-31)33-2/h9,11,13,16-18,20,22H,1-8,10,14-15H2,(H,33,35);3,6,9-10,15,20,23H,4-5,7-8,12-13,28-29H2,1-2H3;3-4,7,13,17,21H,5-6,9-11,28-29H2,1-2H3;5,7,12,15,19H,3-4,8-10,27-28H2,1-2H3/t16?,17?,18-,20-,22+;15-,20-,23-;13-,17-,21-;12-,15-,19-/m1000/s1.
What are the key properties of (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
(1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 1938.36 g/mol, XLogP of 14.03, 18 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,7bS)-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-1a,2,3,7b-tetrahydro-1H-cyclopropa[f]quinoline-6-carboxamide;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(7-amino-3-methylthieno[2,3-b]pyrazin-6-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(3S)-7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-3-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5-fluoro-3,4-dihydro-2H-chromene-6-carbonitrile;(7S)-3-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-7-[2-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 167669252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).