1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C24H25N5O2S — CID 66760507

IUPAC1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCSc1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1
InChIInChI=1S/C24H25N5O2S/c1-15(30)28-9-7-17(8-10-28)29-14-16(12-27-29)20-13-26-24(25)23-19(20)11-21(31-23)18-5-3-4-6-22(18)32-2/h3-6,11-14,17H,7-10H2,1-2H3,(H2,25,26)
InChIKeyNXNILAJGBIVOOD-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.85
Rot. Bonds4

About 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 66760507) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID66760507
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCSc1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1
InChIInChI=1S/C24H25N5O2S/c1-15(30)28-9-7-17(8-10-28)29-14-16(12-27-29)20-13-26-24(25)23-19(20)11-21(31-23)18-5-3-4-6-22(18)32-2/h3-6,11-14,17H,7-10H2,1-2H3,(H2,25,26)
InChIKeyNXNILAJGBIVOOD-UHFFFAOYSA-N
XLogP4.85
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 66760507) is 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CSc1ccccc1-c1cc2c(-c3cnn(C4CCN(C(C)=O)CC4)c3)cnc(N)c2o1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is NXNILAJGBIVOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15(30)28-9-7-17(8-10-28)29-14-16(12-27-29)20-13-26-24(25)23-19(20)11-21(31-23)18-5-3-4-6-22(18)32-2/h3-6,11-14,17H,7-10H2,1-2H3,(H2,25,26).
What are the key properties of 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 447.56 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(2-methylsulfanylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66760507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).