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

C28H35N3O5S — CID 138733771

IUPAC6-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
SMILESCc1c(C(=O)O)cc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C28H35N3O5S/c1-17-22(26(32)33)14-21-12-19(16-31(21)25(17)18(2)29-8-10-35-11-9-29)24-13-20-15-30(7-6-23(20)37-24)27(34)36-28(3,4)5/h12-14,16,18H,6-11,15H2,1-5H3,(H,32,33)
InChIKeyZPWWAJDRQKGAOC-UHFFFAOYSA-N
MW525.67 g/mol
LogP5.36
Rot. Bonds4

About 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

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 (PubChem CID 138733771) has the molecular formula C28H35N3O5S and a molecular weight of 525.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID138733771
Molecular FormulaC28H35N3O5S
Molecular Weight525.67 g/mol
Exact Mass525.23
IUPAC Name6-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
SMILESCc1c(C(=O)O)cc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C28H35N3O5S/c1-17-22(26(32)33)14-21-12-19(16-31(21)25(17)18(2)29-8-10-35-11-9-29)24-13-20-15-30(7-6-23(20)37-24)27(34)36-28(3,4)5/h12-14,16,18H,6-11,15H2,1-5H3,(H,32,33)
InChIKeyZPWWAJDRQKGAOC-UHFFFAOYSA-N
XLogP5.36
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

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
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
6-methyl-5-(1-morpholin-4-ylethyl)-2-pyridin-3-ylindolizine-7-carboxylic acid
CID 139311468
tert-butyl 4-[5-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 139312157
tert-butyl 4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]piperidine-1-carboxylate
CID 142300541
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 82379362
tert-butyl 7-(difluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166172529
2-methoxy-6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 167476434
tert-butyl 5-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 22335283
2-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 134340791
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)O)cc2cc(-c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)cn2c1C(C)N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is ZPWWAJDRQKGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O5S/c1-17-22(26(32)33)14-21-12-19(16-31(21)25(17)18(2)29-8-10-35-11-9-29)24-13-20-15-30(7-6-23(20)37-24)27(34)36-28(3,4)5/h12-14,16,18H,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-thieno[3,2-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-thieno[3,2-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 525.67 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-thieno[3,2-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 138733771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).