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

IUPAC6-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
SMILESCc1c(C(=O)O)cc2c(-c3ccnn3C3CCCCO3)ccn2c1N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=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)
InChIKeyFGQHAEOLQCQTRA-UHFFFAOYSA-N
MW537.66 g/mol
LogP5.34
Rot. Bonds5

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 Name6-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 CID138733392
Molecular FormulaC29H39N5O5
Molecular Weight537.66 g/mol
Exact Mass537.30
IUPAC Name6-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
SMILESCc1c(C(=O)O)cc2c(-c3ccnn3C3CCCCO3)ccn2c1N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=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)
InChIKeyFGQHAEOLQCQTRA-UHFFFAOYSA-N
XLogP5.34
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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).