(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

C45H43N7O6S2 — CID 159059979

IUPAC(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
SMILESO=C(Nc1ccc(OC2CCC2)nc1)OC1CCN(c2ccnc3ccsc23)C1.O=C(Nc1ccc(Oc2ccccc2)cc1)OC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C24H21N3O3S.C21H22N4O3S/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/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)
InChIKeyJYIMHCMGAOQZTK-UHFFFAOYSA-N
MW842.02 g/mol
LogP10.37
Rot. Bonds10

About (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-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate (PubChem CID 159059979) has the molecular formula C45H43N7O6S2 and a molecular weight of 842.02 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159059979
Molecular FormulaC45H43N7O6S2
Molecular Weight842.02 g/mol
Exact Mass841.27
IUPAC Name(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
SMILESO=C(Nc1ccc(OC2CCC2)nc1)OC1CCN(c2ccnc3ccsc23)C1.O=C(Nc1ccc(Oc2ccccc2)cc1)OC1CCN(c2ccnc3ccsc23)C1
InChIInChI=1S/C24H21N3O3S.C21H22N4O3S/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/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)
InChIKeyJYIMHCMGAOQZTK-UHFFFAOYSA-N
XLogP10.37
TPSA140.27 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500842.02
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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 (CID 159059979) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1ccc(OC2CCC2)nc1)OC1CCN(c2ccnc3ccsc23)C1.O=C(Nc1ccc(Oc2ccccc2)cc1)OC1CCN(c2ccnc3ccsc23)C1.
What is the InChIKey of (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?
The InChIKey is JYIMHCMGAOQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S.C21H22N4O3S/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/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).
What are the key properties of (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-(6-cyclobutyloxy-3-pyridinyl)carbamate;(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl) N-(4-phenoxyphenyl)carbamate has a molecular weight of 842.02 g/mol, XLogP of 10.37, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159059979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).