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

C24H19N7O2S — CID 137109401

IUPAC1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)s1
InChIInChI=1S/C24H19N7O2S/c1-12(33)19-8-9-20(34-19)13-4-3-5-16-21(13)27-24(26-16)23-22-17(28-29-23)7-6-15(25-22)14-10-31(2)30-18(14)11-32/h3-10,32H,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyLTQQXNGDJWGRKT-UHFFFAOYSA-N
MW469.53 g/mol
LogP4.33
Rot. Bonds5

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

1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone (PubChem CID 137109401) has the molecular formula C24H19N7O2S and a molecular weight of 469.53 g/mol. Its IUPAC name is 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
PubChem CID137109401
Molecular FormulaC24H19N7O2S
Molecular Weight469.53 g/mol
Exact Mass469.13
IUPAC Name1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)s1
InChIInChI=1S/C24H19N7O2S/c1-12(33)19-8-9-20(34-19)13-4-3-5-16-21(13)27-24(26-16)23-22-17(28-29-23)7-6-15(25-22)14-10-31(2)30-18(14)11-32/h3-10,32H,11H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyLTQQXNGDJWGRKT-UHFFFAOYSA-N
XLogP4.33
TPSA125.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone (CID 137109401) is 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2cccc3[nH]c(-c4n[nH]c5ccc(-c6cn(C)nc6CO)nc45)nc23)s1.
What is the InChIKey of 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone?
The InChIKey is LTQQXNGDJWGRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O2S/c1-12(33)19-8-9-20(34-19)13-4-3-5-16-21(13)27-24(26-16)23-22-17(28-29-23)7-6-15(25-22)14-10-31(2)30-18(14)11-32/h3-10,32H,11H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone?
1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone has a molecular weight of 469.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[5-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 137109401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).