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

C31H43N5O5 — CID 134340885

IUPACethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccnn3C3CCCCO3)ccn2c(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1C
InChIInChI=1S/C31H43N5O5/c1-7-39-29(37)24-20-26-23(25-11-15-32-36(25)27-10-8-9-19-40-27)14-18-35(26)28(21(24)2)33(6)22-12-16-34(17-13-22)30(38)41-31(3,4)5/h11,14-15,18,20,22,27H,7-10,12-13,16-17,19H2,1-6H3
InChIKeyNFHXTSFTGXYVOL-UHFFFAOYSA-N
MW565.72 g/mol
LogP5.82
Rot. Bonds6

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

ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate (PubChem CID 134340885) has the molecular formula C31H43N5O5 and a molecular weight of 565.72 g/mol. Its IUPAC name is ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate
PubChem CID134340885
Molecular FormulaC31H43N5O5
Molecular Weight565.72 g/mol
Exact Mass565.33
IUPAC Nameethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate
SMILESCCOC(=O)c1cc2c(-c3ccnn3C3CCCCO3)ccn2c(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1C
InChIInChI=1S/C31H43N5O5/c1-7-39-29(37)24-20-26-23(25-11-15-32-36(25)27-10-8-9-19-40-27)14-18-35(26)28(21(24)2)33(6)22-12-16-34(17-13-22)30(38)41-31(3,4)5/h11,14-15,18,20,22,27H,7-10,12-13,16-17,19H2,1-6H3
InChIKeyNFHXTSFTGXYVOL-UHFFFAOYSA-N
XLogP5.82
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.72
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate?
The IUPAC name of ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate (CID 134340885) is ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate.
What is the SMILES notation for ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate?
The canonical SMILES for ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate is CCOC(=O)c1cc2c(-c3ccnn3C3CCCCO3)ccn2c(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c1C.
What is the InChIKey of ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate?
The InChIKey is NFHXTSFTGXYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O5/c1-7-39-29(37)24-20-26-23(25-11-15-32-36(25)27-10-8-9-19-40-27)14-18-35(26)28(21(24)2)33(6)22-12-16-34(17-13-22)30(38)41-31(3,4)5/h11,14-15,18,20,22,27H,7-10,12-13,16-17,19H2,1-6H3.
What are the key properties of ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate?
ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate has a molecular weight of 565.72 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-5-[methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1-[2-(oxan-2-yl)pyrazol-3-yl]indolizine-7-carboxylate is sourced from PubChem (CID 134340885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).