6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

C30H39N5O5 — CID 138733551

About 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 138733551) has the molecular formula C30H39N5O5 and a molecular weight of 549.67 g/mol. Its IUPAC name is 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• PubChem CID: 138733551
• Molecular Formula: C30H39N5O5
• Molecular Weight: 549.67 g/mol
• Exact Mass: 549.30
• IUPAC Name: 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2c1C(C)N1CCOCC1
• InChI: InChI=1S/C30H39N5O5/c1-20-25(28(36)37)17-24-16-23(19-35(24)27(20)21(2)32-12-14-39-15-13-32)22-6-7-26(31-18-22)33-8-10-34(11-9-33)29(38)40-30(3,4)5/h6-7,16-19,21H,8-15H2,1-5H3,(H,36,37)
• InChIKey: AOLDGKGIGARTLS-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 99.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.67
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The IUPAC name of 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 138733551) is 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

What is the SMILES notation for 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The canonical SMILES for 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)nc3)cn2c1C(C)N1CCOCC1.

What is the InChIKey of 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

The InChIKey is AOLDGKGIGARTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N5O5/c1-20-25(28(36)37)17-24-16-23(19-35(24)27(20)21(2)32-12-14-39-15-13-32)22-6-7-26(31-18-22)33-8-10-34(11-9-33)29(38)40-30(3,4)5/h6-7,16-19,21H,8-15H2,1-5H3,(H,36,37).

What are the key properties of 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?

6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 549.67 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-2-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 138733551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).