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

C30H26FN7O — CID 136936763

IUPAC4-(4-fluorophenyl)-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)cc1
InChIInChI=1S/C30H26FN7O/c31-22-6-3-19(4-7-22)27-29-26(9-10-33-27)34-30(35-29)28-24-16-20(5-8-25(24)36-37-28)21-15-23(18-32-17-21)39-14-13-38-11-1-2-12-38/h3-10,15-18H,1-2,11-14H2,(H,34,35)(H,36,37)
InChIKeyJEGOPGDPHHGKPJ-UHFFFAOYSA-N
MW519.58 g/mol
LogP5.84
Rot. Bonds7

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

4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936763) has the molecular formula C30H26FN7O and a molecular weight of 519.58 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936763
Molecular FormulaC30H26FN7O
Molecular Weight519.58 g/mol
Exact Mass519.22
IUPAC Name4-(4-fluorophenyl)-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)cc1
InChIInChI=1S/C30H26FN7O/c31-22-6-3-19(4-7-22)27-29-26(9-10-33-27)34-30(35-29)28-24-16-20(5-8-25(24)36-37-28)21-15-23(18-32-17-21)39-14-13-38-11-1-2-12-38/h3-10,15-18H,1-2,11-14H2,(H,34,35)(H,36,37)
InChIKeyJEGOPGDPHHGKPJ-UHFFFAOYSA-N
XLogP5.84
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936763) is 4-(4-fluorophenyl)-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-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-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)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is JEGOPGDPHHGKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN7O/c31-22-6-3-19(4-7-22)27-29-26(9-10-33-27)34-30(35-29)28-24-16-20(5-8-25(24)36-37-28)21-15-23(18-32-17-21)39-14-13-38-11-1-2-12-38/h3-10,15-18H,1-2,11-14H2,(H,34,35)(H,36,37).
What are the key properties of 4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 519.58 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).