[7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol

C143H144Cl7F2N9O16S7 — CID 157161570

About [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol

[7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol (PubChem CID 157161570) has the molecular formula C143H144Cl7F2N9O16S7 and a molecular weight of 2755.41 g/mol. Its IUPAC name is [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol.

Molecular Properties

• Compound Name: [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol
• PubChem CID: 157161570
• Molecular Formula: C143H144Cl7F2N9O16S7
• Molecular Weight: 2755.41 g/mol
• Exact Mass: 2749.66
• IUPAC Name: [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol
• SMILES: CCC(O)c1cc2nccc(-c3cc(Cl)cc(C)c3O[C@@H]3CCC[C@@H]3F)c2s1.CC[C@@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CN1.CC[C@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CN1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1O.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@H]1O.Cc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCCC1=O
• InChI: InChI=1S/C22H23ClFNO2S.2C21H23ClN2O2S.C20H19ClFNO2S.2C20H20ClNO3S.C19H16ClNO2S/c1-3-18(26)20-11-17-22(28-20)14(7-8-25-17)15-10-13(23)9-12(2)21(15)27-19-6-4-5-16(19)24;2*1-3-14-8-15(10-24-14)26-20-12(2)6-13(22)7-18(20)17-4-5-23-19-9-16(11-25)27-21(17)19;1-11-7-12(21)8-15(19(11)25-18-4-2-3-16(18)22)14-5-6-23-17-9-13(10-24)26-20(14)17;2*1-11-7-12(21)8-15(19(11)25-18-4-2-3-17(18)24)14-5-6-22-16-9-13(10-23)26-20(14)16;1-11-9-12(20)10-14(18(11)23-17-4-2-3-16(17)22)13-5-7-21-15-6-8-24-19(13)15/h7-11,16,18-19,26H,3-6H2,1-2H3;2*4-7,9,14-15,24-25H,3,8,10-11H2,1-2H3;5-9,16,18,24H,2-4,10H2,1H3;2*5-9,17-18,23-24H,2-4,10H2,1H3;5-10,17H,2-4H2,1H3/t16-,18?,19+;14-,15+;14-,15-;16-,18+;17-,18+;17-,18-;/m010001./s1
• InChIKey: AMLBDTWILJFCJC-NXJNOGTMSA-N
• XLogP: 37.04
• TPSA: 357.81 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2755.41
LogP ≤ 5	37.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol?

The IUPAC name of [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol (CID 157161570) is [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol.

What is the SMILES notation for [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol?

The canonical SMILES for [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol is CCC(O)c1cc2nccc(-c3cc(Cl)cc(C)c3O[C@@H]3CCC[C@@H]3F)c2s1.CC[C@@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CN1.CC[C@H]1C[C@H](Oc2c(C)cc(Cl)cc2-c2ccnc3cc(CO)sc23)CN1.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1F.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@@H]1O.Cc1cc(Cl)cc(-c2ccnc3cc(CO)sc23)c1O[C@@H]1CCC[C@H]1O.Cc1cc(Cl)cc(-c2ccnc3ccsc23)c1OC1CCCC1=O.

What is the InChIKey of [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol?

The InChIKey is AMLBDTWILJFCJC-NXJNOGTMSA-N. The full InChI is InChI=1S/C22H23ClFNO2S.2C21H23ClN2O2S.C20H19ClFNO2S.2C20H20ClNO3S.C19H16ClNO2S/c1-3-18(26)20-11-17-22(28-20)14(7-8-25-17)15-10-13(23)9-12(2)21(15)27-19-6-4-5-16(19)24;2*1-3-14-8-15(10-24-14)26-20-12(2)6-13(22)7-18(20)17-4-5-23-19-9-16(11-25)27-21(17)19;1-11-7-12(21)8-15(19(11)25-18-4-2-3-16(18)22)14-5-6-23-17-9-13(10-24)26-20(14)17;2*1-11-7-12(21)8-15(19(11)25-18-4-2-3-17(18)24)14-5-6-22-16-9-13(10-23)26-20(14)16;1-11-9-12(20)10-14(18(11)23-17-4-2-3-16(17)22)13-5-7-21-15-6-8-24-19(13)15/h7-11,16,18-19,26H,3-6H2,1-2H3;2*4-7,9,14-15,24-25H,3,8,10-11H2,1-2H3;5-9,16,18,24H,2-4,10H2,1H3;2*5-9,17-18,23-24H,2-4,10H2,1H3;5-10,17H,2-4H2,1H3/t16-,18?,19+;14-,15+;14-,15-;16-,18+;17-,18+;17-,18-;/m010001./s1.

What are the key properties of [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol?

[7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol has a molecular weight of 2755.41 g/mol, XLogP of 37.04, 30 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[5-chloro-2-[(3S,5R)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(3S,5S)-5-ethylpyrrolidin-3-yl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methanol;1-[7-[5-chloro-2-[(1R,2S)-2-fluorocyclopentyl]oxy-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]propan-1-ol;2-(4-chloro-2-methyl-6-thieno[3,2-b]pyridin-7-ylphenoxy)cyclopentan-1-one;cis-(1S,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol;trans-(1R,2R)-2-[4-chloro-2-[2-(hydroxymethyl)thieno[3,2-b]pyridin-7-yl]-6-methylphenoxy]cyclopentan-1-ol is sourced from PubChem (CID 157161570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).