propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate

C24H32N2O4 — CID 134340953

IUPACpropan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C24H32N2O4/c1-16(2)30-24(27)22-14-21-13-20(19-5-9-28-10-6-19)15-26(21)23(17(22)3)18(4)25-7-11-29-12-8-25/h5,13-16,18H,6-12H2,1-4H3
InChIKeyXFUPLGWDJVEXRQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.01
Rot. Bonds5

About propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate

propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate (PubChem CID 134340953) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
PubChem CID134340953
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Namepropan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C24H32N2O4/c1-16(2)30-24(27)22-14-21-13-20(19-5-9-28-10-6-19)15-26(21)23(17(22)3)18(4)25-7-11-29-12-8-25/h5,13-16,18H,6-12H2,1-4H3
InChIKeyXFUPLGWDJVEXRQ-UHFFFAOYSA-N
XLogP4.01
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 139311505
propan-2-yl 2-bromo-5-[1-(4-methoxypiperidin-1-yl)ethyl]-6-methylindolizine-7-carboxylate
CID 134340523
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(3,4,5-trimethoxyphenyl)indolizine-7-carboxylate
CID 134340981
6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
CID 139311468
propan-2-yl 2-bromo-6-methyl-5-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 138733766
propan-2-yl 2-bromo-6-methyl-5-(1-pyrrol-1-ylethyl)indolizine-7-carboxylate
CID 138733367
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
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
methoxymethane;propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-2-[3-(morpholin-4-ylmethyl)phenyl]indolizine-7-carboxylate
CID 142300774
4-[1-[7-ethenyl-6-methyl-2-(2-methylpyrazol-3-yl)indolizin-5-yl]ethyl]morpholine
CID 142300874

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate (CID 134340953) is propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2cc(C3=CCOCC3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
The InChIKey is XFUPLGWDJVEXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-16(2)30-24(27)22-14-21-13-20(19-5-9-28-10-6-19)15-26(21)23(17(22)3)18(4)25-7-11-29-12-8-25/h5,13-16,18H,6-12H2,1-4H3.
What are the key properties of propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3,6-dihydro-2H-pyran-4-yl)-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate is sourced from PubChem (CID 134340953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).