3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

C24H26N6O3S — CID 24797494

IUPAC3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1cnn(C)c1)C2
InChIInChI=1S/C24H26N6O3S/c1-29-14-16(13-27-29)12-26-24(32)30-10-9-18-19(11-25)23(34-21(18)15-30)28-22(31)8-7-17-5-3-4-6-20(17)33-2/h3-6,13-14H,7-10,12,15H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyUKRIHHVNUSHSHA-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.20
Rot. Bonds7

About 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 24797494) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID24797494
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1cnn(C)c1)C2
InChIInChI=1S/C24H26N6O3S/c1-29-14-16(13-27-29)12-26-24(32)30-10-9-18-19(11-25)23(34-21(18)15-30)28-22(31)8-7-17-5-3-4-6-20(17)33-2/h3-6,13-14H,7-10,12,15H2,1-2H3,(H,26,32)(H,28,31)
InChIKeyUKRIHHVNUSHSHA-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-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The IUPAC name of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 24797494) is 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.
What is the SMILES notation for 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The canonical SMILES for 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)NCc1cnn(C)c1)C2.
What is the InChIKey of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is UKRIHHVNUSHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-29-14-16(13-27-29)12-26-24(32)30-10-9-18-19(11-25)23(34-21(18)15-30)28-22(31)8-7-17-5-3-4-6-20(17)33-2/h3-6,13-14H,7-10,12,15H2,1-2H3,(H,26,32)(H,28,31).
What are the key properties of 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-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-(2-methoxyphenyl)propanoylamino]-N-[(1-methylpyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 24797494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).