7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone

C96H118F2N24O8S4 — CID 167598718

IUPAC7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCOC[C@@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2nc3c(cc2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@H]1N.COC[C@H]1CN(c2nc3c(cc2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@H]1N
InChIInChI=1S/2C25H30FN5O2S.2C23H29N7O2S/c2*1-13-3-5-17-22(28)23(34-25(17)29-13)21(32)8-14-4-6-20-15(7-14)9-18(26)24(30-20)31-10-16(12-33-2)19(27)11-31;2*1-12-8-26-20-19(25)21(33-23(20)27-12)22(31)28-15-4-5-17-13(7-15)3-6-18(29-17)30-9-14(11-32-2)16(24)10-30/h2*3,5,9,14,16,19H,4,6-8,10-12,27-28H2,1-2H3;2*3,6,8,14-16H,4-5,7,9-11,24-25H2,1-2H3,(H,28,31)/t14-,16+,19+;14-,16-,19-;14-,15+,16-;14-,15-,16-/m0010/s1
InChIKeyJKVWHFSKLKSATL-JFHXVKMMSA-N
MW1902.42 g/mol
LogP10.37
Rot. Bonds22

About 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone

7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone (PubChem CID 167598718) has the molecular formula C96H118F2N24O8S4 and a molecular weight of 1902.42 g/mol. Its IUPAC name is 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
PubChem CID167598718
Molecular FormulaC96H118F2N24O8S4
Molecular Weight1902.42 g/mol
Exact Mass1900.84
IUPAC Name7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone
SMILESCOC[C@@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2nc3c(cc2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@H]1N.COC[C@H]1CN(c2nc3c(cc2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@H]1N
InChIInChI=1S/2C25H30FN5O2S.2C23H29N7O2S/c2*1-13-3-5-17-22(28)23(34-25(17)29-13)21(32)8-14-4-6-20-15(7-14)9-18(26)24(30-20)31-10-16(12-33-2)19(27)11-31;2*1-12-8-26-20-19(25)21(33-23(20)27-12)22(31)28-15-4-5-17-13(7-15)3-6-18(29-17)30-9-14(11-32-2)16(24)10-30/h2*3,5,9,14,16,19H,4,6-8,10-12,27-28H2,1-2H3;2*3,6,8,14-16H,4-5,7,9-11,24-25H2,1-2H3,(H,28,31)/t14-,16+,19+;14-,16-,19-;14-,15+,16-;14-,15-,16-/m0010/s1
InChIKeyJKVWHFSKLKSATL-JFHXVKMMSA-N
XLogP10.37
TPSA479.28 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001902.42
LogP ≤ 510.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone with MolForge

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Related Compounds

3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159275399
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159972431
5-[[5-(4-aminoquinolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 161997724
N-[(6S)-2-[(3aS,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167582679
7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(5S)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167603441
3-amino-N-[(2R)-7,8-difluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(2R,3R)-2-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(2S,3S)-2-(methoxymethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3R,4S)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide;N-[(6S)-2-[(3S,4R)-3-amino-4-(trifluoromethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 167710207
7-amino-N-[4-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172539878
7-amino-N-[3-fluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172539881
7-amino-N-[2-[4-amino-3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540024
7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540129
7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540157
7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540361

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?
The IUPAC name of 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone (CID 167598718) is 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone.
What is the SMILES notation for 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?
The canonical SMILES for 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone is COC[C@@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2nc3c(cc2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@@H]1N.COC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cnc4c2N)C3)C[C@H]1N.COC[C@H]1CN(c2nc3c(cc2F)C[C@@H](CC(=O)c2sc4nc(C)ccc4c2N)CC3)C[C@H]1N.
What is the InChIKey of 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?
The InChIKey is JKVWHFSKLKSATL-JFHXVKMMSA-N. The full InChI is InChI=1S/2C25H30FN5O2S.2C23H29N7O2S/c2*1-13-3-5-17-22(28)23(34-25(17)29-13)21(32)8-14-4-6-20-15(7-14)9-18(26)24(30-20)31-10-16(12-33-2)19(27)11-31;2*1-12-8-26-20-19(25)21(33-23(20)27-12)22(31)28-15-4-5-17-13(7-15)3-6-18(29-17)30-9-14(11-32-2)16(24)10-30/h2*3,5,9,14,16,19H,4,6-8,10-12,27-28H2,1-2H3;2*3,6,8,14-16H,4-5,7,9-11,24-25H2,1-2H3,(H,28,31)/t14-,16+,19+;14-,16-,19-;14-,15+,16-;14-,15-,16-/m0010/s1.
What are the key properties of 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone?
7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone has a molecular weight of 1902.42 g/mol, XLogP of 10.37, 22 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;7-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide;2-[(6S)-2-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone;2-[(6S)-2-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-1-(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)ethanone is sourced from PubChem (CID 167598718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).