ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate

C28H35N3O3S — CID 138733459

About ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate

ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate (PubChem CID 138733459) has the molecular formula C28H35N3O3S and a molecular weight of 493.67 g/mol. Its IUPAC name is ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate
• PubChem CID: 138733459
• Molecular Formula: C28H35N3O3S
• Molecular Weight: 493.67 g/mol
• Exact Mass: 493.24
• IUPAC Name: ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate
• SMILES: C=C(c1c(C)c(C(=O)OCC)cc2c(C(C)C)c(-c3cc4c(s3)CNCC4)cn12)N1CCOCC1
• InChI: InChI=1S/C28H35N3O3S/c1-6-34-28(32)21-14-23-26(17(2)3)22(24-13-20-7-8-29-15-25(20)35-24)16-31(23)27(18(21)4)19(5)30-9-11-33-12-10-30/h13-14,16-17,29H,5-12,15H2,1-4H3
• InChIKey: RNZVWJMTOMEXKX-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 55.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.67
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate?

The IUPAC name of ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate (CID 138733459) is ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate.

What is the SMILES notation for ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate?

The canonical SMILES for ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OCC)cc2c(C(C)C)c(-c3cc4c(s3)CNCC4)cn12)N1CCOCC1.

What is the InChIKey of ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate?

The InChIKey is RNZVWJMTOMEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3S/c1-6-34-28(32)21-14-23-26(17(2)3)22(24-13-20-7-8-29-15-25(20)35-24)16-31(23)27(18(21)4)19(5)30-9-11-33-12-10-30/h13-14,16-17,29H,5-12,15H2,1-4H3.

What are the key properties of ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate?

ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate has a molecular weight of 493.67 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-propan-2-yl-2-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)indolizine-7-carboxylate is sourced from PubChem (CID 138733459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).