3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C24H26N6O3S — CID 24797496

IUPAC3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccnn2C)C3)c1
InChIInChI=1S/C24H26N6O3S/c1-29-17(8-10-27-29)14-26-24(32)30-11-9-19-20(13-25)23(34-21(19)15-30)28-22(31)7-6-16-4-3-5-18(12-16)33-2/h3-5,8,10,12H,6-7,9,11,14-15H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyCXRXERCGVTUVKO-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.20
Rot. Bonds7

About 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 24797496) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID24797496
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccnn2C)C3)c1
InChIInChI=1S/C24H26N6O3S/c1-29-17(8-10-27-29)14-26-24(32)30-11-9-19-20(13-25)23(34-21(19)15-30)28-22(31)7-6-16-4-3-5-18(12-16)33-2/h3-5,8,10,12H,6-7,9,11,14-15H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyCXRXERCGVTUVKO-UHFFFAOYSA-N
XLogP3.20
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 24797496) is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2ccnn2C)C3)c1.
What is the InChIKey of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is CXRXERCGVTUVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-29-17(8-10-27-29)14-26-24(32)30-11-9-19-20(13-25)23(34-21(19)15-30)28-22(31)7-6-16-4-3-5-18(12-16)33-2/h3-5,8,10,12H,6-7,9,11,14-15H2,1-2H3,(H,26,32)(H,28,31).
What are the key properties of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide has a molecular weight of 478.58 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(2-methylpyrazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 24797496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).