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

C24H26N6O3S — CID 24797586

IUPAC3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2cn[nH]c2C)C3)c1
InChIInChI=1S/C24H26N6O3S/c1-15-17(13-27-29-15)12-26-24(32)30-9-8-19-20(11-25)23(34-21(19)14-30)28-22(31)7-6-16-4-3-5-18(10-16)33-2/h3-5,10,13H,6-9,12,14H2,1-2H3,(H,26,32)(H,27,29)(H,28,31)
InChIKeyFUDIMQICFFBYHS-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.50
Rot. Bonds7

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

3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (PubChem CID 24797586) 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-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
PubChem CID24797586
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
SMILESCOc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2cn[nH]c2C)C3)c1
InChIInChI=1S/C24H26N6O3S/c1-15-17(13-27-29-15)12-26-24(32)30-9-8-19-20(11-25)23(34-21(19)14-30)28-22(31)7-6-16-4-3-5-18(10-16)33-2/h3-5,10,13H,6-9,12,14H2,1-2H3,(H,26,32)(H,27,29)(H,28,31)
InChIKeyFUDIMQICFFBYHS-UHFFFAOYSA-N
XLogP3.50
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide (CID 24797586) is 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-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-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is COc1cccc(CCC(=O)Nc2sc3c(c2C#N)CCN(C(=O)NCc2cn[nH]c2C)C3)c1.
What is the InChIKey of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
The InChIKey is FUDIMQICFFBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-15-17(13-27-29-15)12-26-24(32)30-9-8-19-20(11-25)23(34-21(19)14-30)28-22(31)7-6-16-4-3-5-18(10-16)33-2/h3-5,10,13H,6-9,12,14H2,1-2H3,(H,26,32)(H,27,29)(H,28,31).
What are the key properties of 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide?
3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-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 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-[3-(3-methoxyphenyl)propanoylamino]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide is sourced from PubChem (CID 24797586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).