propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate

C24H34BrN3O4 — CID 138733766

IUPACpropan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H34BrN3O4/c1-15(2)31-22(29)20-13-19-12-18(25)14-28(19)21(16(20)3)17(4)26-8-10-27(11-9-26)23(30)32-24(5,6)7/h12-15,17H,8-11H2,1-7H3
InChIKeyFZDNOAUGVQUJCA-UHFFFAOYSA-N
MW508.46 g/mol
LogP5.19
Rot. Bonds4

About propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate

propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate (PubChem CID 138733766) has the molecular formula C24H34BrN3O4 and a molecular weight of 508.46 g/mol. Its IUPAC name is propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate
PubChem CID138733766
Molecular FormulaC24H34BrN3O4
Molecular Weight508.46 g/mol
Exact Mass507.17
IUPAC Namepropan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H34BrN3O4/c1-15(2)31-22(29)20-13-19-12-18(25)14-28(19)21(16(20)3)17(4)26-8-10-27(11-9-26)23(30)32-24(5,6)7/h12-15,17H,8-11H2,1-7H3
InChIKeyFZDNOAUGVQUJCA-UHFFFAOYSA-N
XLogP5.19
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.46
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
CID 134340523
propan-2-yl 6-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
CID 139312147
ethyl 2-bromo-6-methyl-5-[1-[4-(2,3,3-trifluoropropyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 175336984
propan-2-yl 2-bromo-5-[1-(4-cyanopiperidin-1-yl)ethenyl]-6-methylindolizine-7-carboxylate
CID 138733582
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
propan-2-yl 2-bromo-6-methyl-5-[1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethenyl]indolizine-7-carboxylate
CID 138733675
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
CID 134340981
tert-butyl 4-[1-(2-bromophenyl)ethyl]piperazine-1-carboxylate
CID 169409829
6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 138733771
tert-butyl 4-[(2-bromo-7-cyano-6-methylindolizin-5-yl)amino]piperidine-1-carboxylate
CID 134340485
tert-butyl 4-(1-thiophen-2-ylethyl)piperazine-1-carboxylate
CID 71633459
tert-butyl 4-(5-bromo-3-methoxycarbonyl-2-methylanilino)piperidine-1-carboxylate
CID 70872672

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate (CID 138733766) is propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2cc(Br)cn2c1C(C)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate?
The InChIKey is FZDNOAUGVQUJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34BrN3O4/c1-15(2)31-22(29)20-13-19-12-18(25)14-28(19)21(16(20)3)17(4)26-8-10-27(11-9-26)23(30)32-24(5,6)7/h12-15,17H,8-11H2,1-7H3.
What are the key properties of propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate?
propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate has a molecular weight of 508.46 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate is sourced from PubChem (CID 138733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).