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

C24H25N5O4S — CID 53378283

IUPAC1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(S(C)(=O)=O)c5)cc34)cn2)CC1
InChIInChI=1S/C24H25N5O4S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-4-3-5-19(10-16)34(2,31)32/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
InChIKeyPNMSXKSJKZBGHS-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.53
Rot. Bonds4

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

1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 53378283) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID53378283
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(S(C)(=O)=O)c5)cc34)cn2)CC1
InChIInChI=1S/C24H25N5O4S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-4-3-5-19(10-16)34(2,31)32/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26)
InChIKeyPNMSXKSJKZBGHS-UHFFFAOYSA-N
XLogP3.53
TPSA124.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 53378283) is 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)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-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc(S(C)(=O)=O)c5)cc34)cn2)CC1.
What is the InChIKey of 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is PNMSXKSJKZBGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15(30)28-8-6-18(7-9-28)29-14-17(12-27-29)21-13-26-24(25)23-20(21)11-22(33-23)16-4-3-5-19(10-16)34(2,31)32/h3-5,10-14,18H,6-9H2,1-2H3,(H2,25,26).
What are the key properties of 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 479.56 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[7-amino-2-(3-methylsulfonylphenyl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53378283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).