3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C98H118F2N20O10S4 — CID 167593697

IUPAC3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOC[C@@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.COC[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N
InChIInChI=1S/2C25H31N5O2S.2C24H28FN5O3S/c2*1-14-3-8-20-22(27)23(33-25(20)28-14)24(31)29-18-6-4-16-10-19(7-5-15(16)9-18)30-11-17(13-32-2)21(26)12-30;2*1-12-3-4-16-21(27)22(34-24(16)28-12)23(31)29-14-5-17-18(25)6-15(7-20(17)33-11-14)30-8-13(10-32-2)19(26)9-30/h2*3,5,7-8,10,17-18,21H,4,6,9,11-13,26-27H2,1-2H3,(H,29,31);2*3-4,6-7,13-14,19H,5,8-11,26-27H2,1-2H3,(H,29,31)/t17-,18+,21-;17-,18-,21-;13-,14+,19-;13-,14-,19-/m1001/s1
InChIKeyITJDUAIKXOHOBY-CYWZXCIASA-N
MW1902.42 g/mol
LogP10.71
Rot. Bonds20

About 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167593697) has the molecular formula C98H118F2N20O10S4 and a molecular weight of 1902.42 g/mol. Its IUPAC name is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167593697
Molecular FormulaC98H118F2N20O10S4
Molecular Weight1902.42 g/mol
Exact Mass1900.82
IUPAC Name3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCOC[C@@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.COC[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N
InChIInChI=1S/2C25H31N5O2S.2C24H28FN5O3S/c2*1-14-3-8-20-22(27)23(33-25(20)28-14)24(31)29-18-6-4-16-10-19(7-5-15(16)9-18)30-11-17(13-32-2)21(26)12-30;2*1-12-3-4-16-21(27)22(34-24(16)28-12)23(31)29-14-5-17-18(25)6-15(7-20(17)33-11-14)30-8-13(10-32-2)19(26)9-30/h2*3,5,7-8,10,17-18,21H,4,6,9,11-13,26-27H2,1-2H3,(H,29,31);2*3-4,6-7,13-14,19H,5,8-11,26-27H2,1-2H3,(H,29,31)/t17-,18+,21-;17-,18-,21-;13-,14+,19-;13-,14-,19-/m1001/s1
InChIKeyITJDUAIKXOHOBY-CYWZXCIASA-N
XLogP10.71
TPSA444.46 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001902.42
LogP ≤ 510.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167593697) is 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is COC[C@@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@@H]1N.COC[C@H]1CN(c2cc(F)c3c(c2)OC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.COC[C@H]1CN(c2ccc3c(c2)CC[C@H](NC(=O)c2sc4nc(C)ccc4c2N)C3)C[C@H]1N.
What is the InChIKey of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ITJDUAIKXOHOBY-CYWZXCIASA-N. The full InChI is InChI=1S/2C25H31N5O2S.2C24H28FN5O3S/c2*1-14-3-8-20-22(27)23(33-25(20)28-14)24(31)29-18-6-4-16-10-19(7-5-15(16)9-18)30-11-17(13-32-2)21(26)12-30;2*1-12-3-4-16-21(27)22(34-24(16)28-12)23(31)29-14-5-17-18(25)6-15(7-20(17)33-11-14)30-8-13(10-32-2)19(26)9-30/h2*3,5,7-8,10,17-18,21H,4,6,9,11-13,26-27H2,1-2H3,(H,29,31);2*3-4,6-7,13-14,19H,5,8-11,26-27H2,1-2H3,(H,29,31)/t17-,18+,21-;17-,18-,21-;13-,14+,19-;13-,14-,19-/m1001/s1.
What are the key properties of 3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(3R)-7-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 1902.42 g/mol, XLogP of 10.71, 20 rotatable bonds, 12 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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-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-(methoxymethyl)pyrrolidin-1-yl]-5-fluoro-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3R,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(2S)-6-[(3S,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167593697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).