4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine

C21H11F2N7S — CID 136942818

IUPAC4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncnc6)c(F)c45)nc23)s1
InChIInChI=1S/C21H11F2N7S/c22-15-5-4-14(31-15)11-2-1-3-12-19(11)28-21(27-12)20-16-13(29-30-20)8-26-18(17(16)23)10-6-24-9-25-7-10/h1-9H,(H,27,28)(H,29,30)
InChIKeyPLJNWBXCVKMRPC-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.96
Rot. Bonds3

About 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine

4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136942818) has the molecular formula C21H11F2N7S and a molecular weight of 431.43 g/mol. Its IUPAC name is 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
PubChem CID136942818
Molecular FormulaC21H11F2N7S
Molecular Weight431.43 g/mol
Exact Mass431.08
IUPAC Name4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncnc6)c(F)c45)nc23)s1
InChIInChI=1S/C21H11F2N7S/c22-15-5-4-14(31-15)11-2-1-3-12-19(11)28-21(27-12)20-16-13(29-30-20)8-26-18(17(16)23)10-6-24-9-25-7-10/h1-9H,(H,27,28)(H,29,30)
InChIKeyPLJNWBXCVKMRPC-UHFFFAOYSA-N
XLogP4.96
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclopropylethenyl)-5-[4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 145033394
4-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 137102119
cyclohexyl-[[5-[4-fluoro-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]amino]methanol
CID 137291806
4-fluoro-3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136942688
4-fluoro-3-(4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136943925
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136942864
4-fluoro-3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine
CID 136944028
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
CID 137109512
1-[5-[2-(4-fluoro-5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136947091
5-[4-fluoro-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136942780
5-[4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 136944121
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridine
CID 137038810

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine (CID 136942818) is 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncnc6)c(F)c45)nc23)s1.
What is the InChIKey of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is PLJNWBXCVKMRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F2N7S/c22-15-5-4-14(31-15)11-2-1-3-12-19(11)28-21(27-12)20-16-13(29-30-20)8-26-18(17(16)23)10-6-24-9-25-7-10/h1-9H,(H,27,28)(H,29,30).
What are the key properties of 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine?
4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 431.43 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-pyrimidin-5-yl-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136942818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).