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

C28H24FN7OS — CID 136936954

IUPAC4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H24FN7OS/c29-24-6-5-23(38-24)27-26-22(7-8-31-27)32-28(33-26)25-20-14-17(3-4-21(20)34-35-25)18-13-19(16-30-15-18)37-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,32,33)(H,34,35)
InChIKeyNVFXHMSKLOCXBI-UHFFFAOYSA-N
MW525.61 g/mol
LogP5.91
Rot. Bonds7

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

4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936954) has the molecular formula C28H24FN7OS and a molecular weight of 525.61 g/mol. Its IUPAC name is 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936954
Molecular FormulaC28H24FN7OS
Molecular Weight525.61 g/mol
Exact Mass525.17
IUPAC Name4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H24FN7OS/c29-24-6-5-23(38-24)27-26-22(7-8-31-27)32-28(33-26)25-20-14-17(3-4-21(20)34-35-25)18-13-19(16-30-15-18)37-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,32,33)(H,34,35)
InChIKeyNVFXHMSKLOCXBI-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 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936954) is 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCCN7CCCC7)c6)cc45)nc23)s1.
What is the InChIKey of 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is NVFXHMSKLOCXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7OS/c29-24-6-5-23(38-24)27-26-22(7-8-31-27)32-28(33-26)25-20-14-17(3-4-21(20)34-35-25)18-13-19(16-30-15-18)37-12-11-36-9-1-2-10-36/h3-8,13-16H,1-2,9-12H2,(H,32,33)(H,34,35).
What are the key properties of 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-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 4-(5-fluorothiophen-2-yl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).