4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide

C27H31N5O4S — CID 164738799

IUPAC4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
SMILESCOc1ncc(C2=CCOCC2)c2sc(NC(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3)nc12
InChIInChI=1S/C27H31N5O4S/c1-35-26-22-23(21(17-29-26)18-9-15-36-16-10-18)37-27(30-22)31-25(34)20-7-5-19(6-8-20)24(33)28-11-14-32-12-3-2-4-13-32/h5-9,17H,2-4,10-16H2,1H3,(H,28,33)(H,30,31,34)
InChIKeyGQYRMYKHIPPLML-UHFFFAOYSA-N
MW521.64 g/mol
LogP3.97
Rot. Bonds8

About 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide

4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide (PubChem CID 164738799) has the molecular formula C27H31N5O4S and a molecular weight of 521.64 g/mol. Its IUPAC name is 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
PubChem CID164738799
Molecular FormulaC27H31N5O4S
Molecular Weight521.64 g/mol
Exact Mass521.21
IUPAC Name4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
SMILESCOc1ncc(C2=CCOCC2)c2sc(NC(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3)nc12
InChIInChI=1S/C27H31N5O4S/c1-35-26-22-23(21(17-29-26)18-9-15-36-16-10-18)37-27(30-22)31-25(34)20-7-5-19(6-8-20)24(33)28-11-14-32-12-3-2-4-13-32/h5-9,17H,2-4,10-16H2,1H3,(H,28,33)(H,30,31,34)
InChIKeyGQYRMYKHIPPLML-UHFFFAOYSA-N
XLogP3.97
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide with MolForge

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Related Compounds

N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-(2-methoxyethylamino)-1,3-thiazole-5-carboxamide
CID 164738723
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462534
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)cyclohexa-1,3-diene-1,4-dicarboxamide
CID 146653145
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
CID 146653113
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
4-(3-methoxy-4-pyridinyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 163310129
4-[(dimethylamino)methyl]-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]benzamide
CID 146624004
N-[4-(3,6-dihydro-2H-pyran-4-yl)-7-methoxy-1H-benzimidazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 154589244
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide (CID 164738799) is 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide is COc1ncc(C2=CCOCC2)c2sc(NC(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3)nc12.
What is the InChIKey of 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
The InChIKey is GQYRMYKHIPPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4S/c1-35-26-22-23(21(17-29-26)18-9-15-36-16-10-18)37-27(30-22)31-25(34)20-7-5-19(6-8-20)24(33)28-11-14-32-12-3-2-4-13-32/h5-9,17H,2-4,10-16H2,1H3,(H,28,33)(H,30,31,34).
What are the key properties of 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide?
4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide has a molecular weight of 521.64 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-(3,6-dihydro-2H-pyran-4-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 164738799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).