3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C101H126N20O10S4 — CID 167619547

IUPAC3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOC[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CCOC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1OC.CC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1OC
InChIInChI=1S/C26H33N5O2S.2C25H31N5O3S.C25H31N5O2S/c1-5-16-12-31(13-20(16)33-4)21-9-6-17-11-18(7-8-19(17)30-21)29-25(32)24-23(27)22-14(2)10-15(3)28-26(22)34-24;2*1-3-32-12-16-10-30(11-20(16)26)18-6-5-15-8-17(13-33-21(15)9-18)29-24(31)23-22(27)19-7-4-14(2)28-25(19)34-23;1-4-15-12-30(13-20(15)32-3)21-10-6-16-11-17(7-9-19(16)29-21)28-24(31)23-22(26)18-8-5-14(2)27-25(18)33-23/h6,9-10,16,18,20H,5,7-8,11-13,27H2,1-4H3,(H,29,32);2*4-7,9,16-17,20H,3,8,10-13,26-27H2,1-2H3,(H,29,31);5-6,8,10,15,17,20H,4,7,9,11-13,26H2,1-3H3,(H,28,31)/t16-,18-,20-;16-,17+,20-;16-,17-,20-;15-,17-,20-/m0010/s1
InChIKeyMFXFVQPYJSEIMI-CCULOAQTSA-N
MW1908.52 g/mol
LogP13.21
Rot. Bonds22

About 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167619547) has the molecular formula C101H126N20O10S4 and a molecular weight of 1908.52 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167619547
Molecular FormulaC101H126N20O10S4
Molecular Weight1908.52 g/mol
Exact Mass1906.88
IUPAC Name3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCOC[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CCOC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1OC.CC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1OC
InChIInChI=1S/C26H33N5O2S.2C25H31N5O3S.C25H31N5O2S/c1-5-16-12-31(13-20(16)33-4)21-9-6-17-11-18(7-8-19(17)30-21)29-25(32)24-23(27)22-14(2)10-15(3)28-26(22)34-24;2*1-3-32-12-16-10-30(11-20(16)26)18-6-5-15-8-17(13-33-21(15)9-18)29-24(31)23-22(27)19-7-4-14(2)28-25(19)34-23;1-4-15-12-30(13-20(15)32-3)21-10-6-16-11-17(7-9-19(16)29-21)28-24(31)23-22(26)18-8-5-14(2)27-25(18)33-23/h6,9-10,16,18,20H,5,7-8,11-13,27H2,1-4H3,(H,29,32);2*4-7,9,16-17,20H,3,8,10-13,26-27H2,1-2H3,(H,29,31);5-6,8,10,15,17,20H,4,7,9,11-13,26H2,1-3H3,(H,28,31)/t16-,18-,20-;16-,17+,20-;16-,17-,20-;15-,17-,20-/m0010/s1
InChIKeyMFXFVQPYJSEIMI-CCULOAQTSA-N
XLogP13.21
TPSA418.20 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001908.52
LogP ≤ 513.21
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167619547) is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is CCOC[C@@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.CCOC[C@H]1CN(c2ccc3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.CC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)cc(C)c4c2N)C3)C[C@@H]1OC.CC[C@H]1CN(c2ccc3c(n2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1OC.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MFXFVQPYJSEIMI-CCULOAQTSA-N. The full InChI is InChI=1S/C26H33N5O2S.2C25H31N5O3S.C25H31N5O2S/c1-5-16-12-31(13-20(16)33-4)21-9-6-17-11-18(7-8-19(17)30-21)29-25(32)24-23(27)22-14(2)10-15(3)28-26(22)34-24;2*1-3-32-12-16-10-30(11-20(16)26)18-6-5-15-8-17(13-33-21(15)9-18)29-24(31)23-22(27)19-7-4-14(2)28-25(19)34-23;1-4-15-12-30(13-20(15)32-3)21-10-6-16-11-17(7-9-19(16)29-21)28-24(31)23-22(26)18-8-5-14(2)27-25(18)33-23/h6,9-10,16,18,20H,5,7-8,11-13,27H2,1-4H3,(H,29,32);2*4-7,9,16-17,20H,3,8,10-13,26-27H2,1-2H3,(H,29,31);5-6,8,10,15,17,20H,4,7,9,11-13,26H2,1-3H3,(H,28,31)/t16-,18-,20-;16-,17+,20-;16-,17-,20-;15-,17-,20-/m0010/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1908.52 g/mol, XLogP of 13.21, 22 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(ethoxymethyl)pyrrolidin-1-yl]-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-(ethoxymethyl)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-ethyl-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167619547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).