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-2-ylethyl)indolizine-7-carboxylic acid

C27H34N4O5S — CID 138733336

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-2-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)C1CNCCO1
InChIInChI=1S/C27H34N4O5S/c1-15-19(25(32)33)11-18-10-17(13-31(18)23(15)16(2)21-12-28-7-9-35-21)24-29-20-6-8-30(14-22(20)37-24)26(34)36-27(3,4)5/h10-11,13,16,21,28H,6-9,12,14H2,1-5H3,(H,32,33)
InChIKeyICFGSYKROWLOFD-UHFFFAOYSA-N
MW526.66 g/mol
LogP4.45
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-2-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-2-ylethyl)indolizine-7-carboxylic acid (PubChem CID 138733336) 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-2-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-2-ylethyl)indolizine-7-carboxylic acid
PubChem CID138733336
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-2-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)C1CNCCO1
InChIInChI=1S/C27H34N4O5S/c1-15-19(25(32)33)11-18-10-17(13-31(18)23(15)16(2)21-12-28-7-9-35-21)24-29-20-6-8-30(14-22(20)37-24)26(34)36-27(3,4)5/h10-11,13,16,21,28H,6-9,12,14H2,1-5H3,(H,32,33)
InChIKeyICFGSYKROWLOFD-UHFFFAOYSA-N
XLogP4.45
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-2-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-2-ylethyl)indolizine-7-carboxylic acid (CID 138733336) 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-2-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-2-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-2-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cn2c1C(C)C1CNCCO1.
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-2-ylethyl)indolizine-7-carboxylic acid?
The InChIKey is ICFGSYKROWLOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5S/c1-15-19(25(32)33)11-18-10-17(13-31(18)23(15)16(2)21-12-28-7-9-35-21)24-29-20-6-8-30(14-22(20)37-24)26(34)36-27(3,4)5/h10-11,13,16,21,28H,6-9,12,14H2,1-5H3,(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-2-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-2-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 526.66 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 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-2-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 138733336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).