methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate

C109H118N18O10S5 — CID 159820908

About methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate

methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate (PubChem CID 159820908) has the molecular formula C109H118N18O10S5 and a molecular weight of 2000.59 g/mol. Its IUPAC name is methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

• Compound Name: methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate
• PubChem CID: 159820908
• Molecular Formula: C109H118N18O10S5
• Molecular Weight: 2000.59 g/mol
• Exact Mass: 1998.79
• IUPAC Name: methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate
• SMILES: C.CC(C)c1ccc(NC(=O)NC2CCN(c3ccnc4ccsc34)C2)cc1.CC(C)c1ccc(NC(=O)NC2CCN(c3ccnc4sccc34)C2)cc1.CC(C)c1ccc(NC(=O)OC2CCN(c3ccnc4ccsc34)C2)cc1.O=C(Nc1ccc(OC2CCC2)nc1)OC1CCN(c2ccnc3ccsc23)C1.O=C(Nc1ccc(Oc2ccccc2)cc1)OC1CCN(c2ccnc3ccsc23)C1
• InChI: InChI=1S/C24H21N3O3S.C21H22N4O3S.2C21H24N4OS.C21H23N3O2S.CH4/c28-24(26-17-6-8-19(9-7-17)29-18-4-2-1-3-5-18)30-20-11-14-27(16-20)22-10-13-25-21-12-15-31-23(21)22;26-21(24-14-4-5-19(23-12-14)27-15-2-1-3-15)28-16-7-10-25(13-16)18-6-9-22-17-8-11-29-20(17)18;1-14(2)15-3-5-16(6-4-15)23-21(26)24-17-8-11-25(13-17)19-7-10-22-18-9-12-27-20(18)19;1-14(2)15-3-5-16(6-4-15)23-21(26)24-17-8-11-25(13-17)19-7-10-22-20-18(19)9-12-27-20;1-14(2)15-3-5-16(6-4-15)23-21(25)26-17-8-11-24(13-17)19-7-10-22-18-9-12-27-20(18)19;/h1-10,12-13,15,20H,11,14,16H2,(H,26,28);4-6,8-9,11-12,15-16H,1-3,7,10,13H2,(H,24,26);2*3-7,9-10,12,14,17H,8,11,13H2,1-2H3,(H2,23,24,26);3-7,9-10,12,14,17H,8,11,13H2,1-2H3,(H,23,25);1H4
• InChIKey: NMFKJVGOFFCAHC-UHFFFAOYSA-N
• XLogP: 25.89
• TPSA: 309.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2000.59
LogP ≤ 5	25.89
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?

The IUPAC name of methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate (CID 159820908) is methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate.

What is the SMILES notation for methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?

The canonical SMILES for methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate is C.CC(C)c1ccc(NC(=O)NC2CCN(c3ccnc4ccsc34)C2)cc1.CC(C)c1ccc(NC(=O)NC2CCN(c3ccnc4sccc34)C2)cc1.CC(C)c1ccc(NC(=O)OC2CCN(c3ccnc4ccsc34)C2)cc1.O=C(Nc1ccc(OC2CCC2)nc1)OC1CCN(c2ccnc3ccsc23)C1.O=C(Nc1ccc(Oc2ccccc2)cc1)OC1CCN(c2ccnc3ccsc23)C1.

What is the InChIKey of methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?

The InChIKey is NMFKJVGOFFCAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S.C21H22N4O3S.2C21H24N4OS.C21H23N3O2S.CH4/c28-24(26-17-6-8-19(9-7-17)29-18-4-2-1-3-5-18)30-20-11-14-27(16-20)22-10-13-25-21-12-15-31-23(21)22;26-21(24-14-4-5-19(23-12-14)27-15-2-1-3-15)28-16-7-10-25(13-16)18-6-9-22-17-8-11-29-20(17)18;1-14(2)15-3-5-16(6-4-15)23-21(26)24-17-8-11-25(13-17)19-7-10-22-18-9-12-27-20(18)19;1-14(2)15-3-5-16(6-4-15)23-21(26)24-17-8-11-25(13-17)19-7-10-22-20-18(19)9-12-27-20;1-14(2)15-3-5-16(6-4-15)23-21(25)26-17-8-11-24(13-17)19-7-10-22-18-9-12-27-20(18)19;/h1-10,12-13,15,20H,11,14,16H2,(H,26,28);4-6,8-9,11-12,15-16H,1-3,7,10,13H2,(H,24,26);2*3-7,9-10,12,14,17H,8,11,13H2,1-2H3,(H2,23,24,26);3-7,9-10,12,14,17H,8,11,13H2,1-2H3,(H,23,25);1H4.

What are the key properties of methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate?

methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 2000.59 g/mol, XLogP of 25.89, 22 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for methane;1-(4-propan-2-ylphenyl)-3-(1-thieno[2,3-b]pyridin-4-ylpyrrolidin-3-yl)urea;1-(4-propan-2-ylphenyl)-3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)urea;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 159820908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).