3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C28H24FN7OS — CID 136943122

IUPAC3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H24FN7OS/c29-25-7-6-24(38-25)19-4-3-5-21-26(19)33-28(32-21)27-20-13-22(31-16-23(20)34-35-27)17-12-18(15-30-14-17)37-11-10-36-8-1-2-9-36/h3-7,12-16H,1-2,8-11H2,(H,32,33)(H,34,35)
InChIKeyCVJUJMHYQFJKMC-UHFFFAOYSA-N
MW525.61 g/mol
LogP5.91
Rot. Bonds7

About 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136943122) has the molecular formula C28H24FN7OS and a molecular weight of 525.61 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID136943122
Molecular FormulaC28H24FN7OS
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC Name3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H24FN7OS/c29-25-7-6-24(38-25)19-4-3-5-21-26(19)33-28(32-21)27-20-13-22(31-16-23(20)34-35-27)17-12-18(15-30-14-17)37-11-10-36-8-1-2-9-36/h3-7,12-16H,1-2,8-11H2,(H,32,33)(H,34,35)
InChIKeyCVJUJMHYQFJKMC-UHFFFAOYSA-N
XLogP5.91
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.61
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 136943122) is 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Fc1ccc(-c2cccc3[nH]c(-c4n[nH]c5cnc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)s1.
What is the InChIKey of 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is CVJUJMHYQFJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7OS/c29-25-7-6-24(38-25)19-4-3-5-21-26(19)33-28(32-21)27-20-13-22(31-16-23(20)34-35-27)17-12-18(15-30-14-17)37-11-10-36-8-1-2-9-36/h3-7,12-16H,1-2,8-11H2,(H,32,33)(H,34,35).
What are the key properties of 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 525.61 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136943122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).