6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide

C20H23N7O2S — CID 146653127

IUPAC6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)C3=CC(CN(C)C)=NCC3)nc12
InChIInChI=1S/C20H23N7O2S/c1-26(2)11-14-7-12(5-6-21-14)18(28)25-20-24-16-17(30-20)15(9-22-19(16)29-4)13-8-23-27(3)10-13/h7-10H,5-6,11H2,1-4H3,(H,24,25,28)
InChIKeyGGNWQJFESHGQRZ-UHFFFAOYSA-N
MW425.52 g/mol
LogP2.37
Rot. Bonds6

About 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide

6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide (PubChem CID 146653127) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide
PubChem CID146653127
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC Name6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide
SMILESCOc1ncc(-c2cnn(C)c2)c2sc(NC(=O)C3=CC(CN(C)C)=NCC3)nc12
InChIInChI=1S/C20H23N7O2S/c1-26(2)11-14-7-12(5-6-21-14)18(28)25-20-24-16-17(30-20)15(9-22-19(16)29-4)13-8-23-27(3)10-13/h7-10H,5-6,11H2,1-4H3,(H,24,25,28)
InChIKeyGGNWQJFESHGQRZ-UHFFFAOYSA-N
XLogP2.37
TPSA97.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide (CID 146653127) is 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide is COc1ncc(-c2cnn(C)c2)c2sc(NC(=O)C3=CC(CN(C)C)=NCC3)nc12.
What is the InChIKey of 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide?
The InChIKey is GGNWQJFESHGQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S/c1-26(2)11-14-7-12(5-6-21-14)18(28)25-20-24-16-17(30-20)15(9-22-19(16)29-4)13-8-23-27(3)10-13/h7-10H,5-6,11H2,1-4H3,(H,24,25,28).
What are the key properties of 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide?
6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 146653127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).