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1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone

C24H18N6OS — CID 137115150

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)nc45)cc23)s1
InChIInChI=1S/C24H18N6OS/c1-13(31)21-8-9-22(32-21)15-4-3-5-18-16(15)10-20(26-18)24-23-19(28-29-24)7-6-17(27-23)14-11-25-30(2)12-14/h3-12,26H,1-2H3,(H,28,29)
InChIKeyXDYHMZRUSULDPM-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.44
Rot. Bonds4

About 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone

1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone (PubChem CID 137115150) has the molecular formula C24H18N6OS and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
PubChem CID137115150
Molecular FormulaC24H18N6OS
Molecular Weight438.52 g/mol
Exact Mass438.13
IUPAC Name1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)nc45)cc23)s1
InChIInChI=1S/C24H18N6OS/c1-13(31)21-8-9-22(32-21)15-4-3-5-18-16(15)10-20(26-18)24-23-19(28-29-24)7-6-17(27-23)14-11-25-30(2)12-14/h3-12,26H,1-2H3,(H,28,29)
InChIKeyXDYHMZRUSULDPM-UHFFFAOYSA-N
XLogP5.44
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone (CID 137115150) is 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cnn(C)c6)nc45)cc23)s1.
What is the InChIKey of 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
The InChIKey is XDYHMZRUSULDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6OS/c1-13(31)21-8-9-22(32-21)15-4-3-5-18-16(15)10-20(26-18)24-23-19(28-29-24)7-6-17(27-23)14-11-25-30(2)12-14/h3-12,26H,1-2H3,(H,28,29).
What are the key properties of 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone has a molecular weight of 438.52 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137115150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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