6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid

C23H27N3O3S — CID 138733545

IUPAC6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3cc4c(s3)CNCC4)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C23H27N3O3S/c1-14-19(23(27)28)11-18-9-17(20-10-16-3-4-24-12-21(16)30-20)13-26(18)22(14)15(2)25-5-7-29-8-6-25/h9-11,13,15,24H,3-8,12H2,1-2H3,(H,27,28)
InChIKeyOOCYFTFFOXIQLZ-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.71
Rot. Bonds4

About 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid

6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid (PubChem CID 138733545) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid
PubChem CID138733545
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3cc4c(s3)CNCC4)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C23H27N3O3S/c1-14-19(23(27)28)11-18-9-17(20-10-16-3-4-24-12-21(16)30-20)13-26(18)22(14)15(2)25-5-7-29-8-6-25/h9-11,13,15,24H,3-8,12H2,1-2H3,(H,27,28)
InChIKeyOOCYFTFFOXIQLZ-UHFFFAOYSA-N
XLogP3.71
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid (CID 138733545) is 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3cc4c(s3)CNCC4)cn2c1C(C)N1CCOCC1.
What is the InChIKey of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid?
The InChIKey is OOCYFTFFOXIQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-14-19(23(27)28)11-18-9-17(20-10-16-3-4-24-12-21(16)30-20)13-26(18)22(14)15(2)25-5-7-29-8-6-25/h9-11,13,15,24H,3-8,12H2,1-2H3,(H,27,28).
What are the key properties of 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid?
6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid has a molecular weight of 425.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 138733545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).