6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid

C29H39N5O5 — CID 138733392

About 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid

6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid (PubChem CID 138733392) has the molecular formula C29H39N5O5 and a molecular weight of 537.66 g/mol. Its IUPAC name is 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid.

Molecular Properties

• Compound Name: 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid
• PubChem CID: 138733392
• Molecular Formula: C29H39N5O5
• Molecular Weight: 537.66 g/mol
• Exact Mass: 537.30
• IUPAC Name: 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid
• SMILES: Cc1c(C(=O)O)cc2c(-c3ccnn3C3CCCCO3)ccn2c1N(C)C1CCN(C(=O)OC(C)(C)C)CC1
• InChI: InChI=1S/C29H39N5O5/c1-19-22(27(35)36)18-24-21(23-9-13-30-34(23)25-8-6-7-17-38-25)12-16-33(24)26(19)31(5)20-10-14-32(15-11-20)28(37)39-29(2,3)4/h9,12-13,16,18,20,25H,6-8,10-11,14-15,17H2,1-5H3,(H,35,36)
• InChIKey: FGQHAEOLQCQTRA-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 101.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.66
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid?

The IUPAC name of 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid (CID 138733392) is 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid.

What is the SMILES notation for 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid?

The canonical SMILES for 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2c(-c3ccnn3C3CCCCO3)ccn2c1N(C)C1CCN(C(=O)OC(C)(C)C)CC1.

What is the InChIKey of 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid?

The InChIKey is FGQHAEOLQCQTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O5/c1-19-22(27(35)36)18-24-21(23-9-13-30-34(23)25-8-6-7-17-38-25)12-16-33(24)26(19)31(5)20-10-14-32(15-11-20)28(37)39-29(2,3)4/h9,12-13,16,18,20,25H,6-8,10-11,14-15,17H2,1-5H3,(H,35,36).

What are the key properties of 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid?

6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid has a molecular weight of 537.66 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylic acid is sourced from PubChem (CID 138733392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).