5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

C23H22N4O4S — CID 10288344

IUPAC5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
SMILESCC1=CC2=C(N1C(=O)NC)C=CC(=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CC[C@H](C5)O
InChIInChI=1S/C23H22N4O4S/c1-13-9-14-10-16(3-4-18(14)27(13)23(30)24-2)31-19-5-7-25-17-11-20(32-21(17)19)22(29)26-8-6-15(28)12-26/h3-5,7,9-11,15,28H,6,8,12H2,1-2H3,(H,24,30)/t15-/m1/s1
InChIKeyLIWQQSBMBUONAZ-OAHLLOKOSA-N
MW450.50 g/mol
LogP3.00
Rot. Bonds3

About 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide

5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (PubChem CID 10288344) has the molecular formula C23H22N4O4S and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.

Molecular Properties

Compound Name5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
PubChem CID10288344
Molecular FormulaC23H22N4O4S
Molecular Weight450.50 g/mol
Exact Mass450.14
IUPAC Name5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide
SMILESCC1=CC2=C(N1C(=O)NC)C=CC(=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CC[C@H](C5)O
InChIInChI=1S/C23H22N4O4S/c1-13-9-14-10-16(3-4-18(14)27(13)23(30)24-2)31-19-5-7-25-17-11-20(32-21(17)19)22(29)26-8-6-15(28)12-26/h3-5,7,9-11,15,28H,6,8,12H2,1-2H3,(H,24,30)/t15-/m1/s1
InChIKeyLIWQQSBMBUONAZ-OAHLLOKOSA-N
XLogP3.00
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity726

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The IUPAC name of 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide (CID 10288344) is 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide.
What is the SMILES notation for 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The canonical SMILES for 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is CC1=CC2=C(N1C(=O)NC)C=CC(=C2)OC3=C4C(=NC=C3)C=C(S4)C(=O)N5CC[C@H](C5)O.
What is the InChIKey of 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
The InChIKey is LIWQQSBMBUONAZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-13-9-14-10-16(3-4-18(14)27(13)23(30)24-2)31-19-5-7-25-17-11-20(32-21(17)19)22(29)26-8-6-15(28)12-26/h3-5,7,9-11,15,28H,6,8,12H2,1-2H3,(H,24,30)/t15-/m1/s1.
What are the key properties of 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide?
5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,2-dimethylindole-1-carboxamide is sourced from PubChem (CID 10288344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).