6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

C27H34N4O5S — CID 138733337

IUPAC6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C27H34N4O5S/c1-16-20(25(32)33)13-19-12-18(14-31(19)23(16)17(2)29-8-10-35-11-9-29)24-28-21-6-7-30(15-22(21)37-24)26(34)36-27(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,32,33)
InChIKeyPDQZYNXPYIQKGV-UHFFFAOYSA-N
MW526.66 g/mol
LogP4.76
Rot. Bonds4

About 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 138733337) has the molecular formula C27H34N4O5S and a molecular weight of 526.66 g/mol. Its IUPAC name is 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
PubChem CID138733337
Molecular FormulaC27H34N4O5S
Molecular Weight526.66 g/mol
Exact Mass526.22
IUPAC Name6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C27H34N4O5S/c1-16-20(25(32)33)13-19-12-18(14-31(19)23(16)17(2)29-8-10-35-11-9-29)24-28-21-6-7-30(15-22(21)37-24)26(34)36-27(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,32,33)
InChIKeyPDQZYNXPYIQKGV-UHFFFAOYSA-N
XLogP4.76
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The IUPAC name of 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 138733337) is 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.
What is the SMILES notation for 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The canonical SMILES for 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)N1CCOCC1.
What is the InChIKey of 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The InChIKey is PDQZYNXPYIQKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5S/c1-16-20(25(32)33)13-19-12-18(14-31(19)23(16)17(2)29-8-10-35-11-9-29)24-28-21-6-7-30(15-22(21)37-24)26(34)36-27(3,4)5/h12-14,17H,6-11,15H2,1-5H3,(H,32,33).
What are the key properties of 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 526.66 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 138733337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).