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

C31H21FN6O — CID 136936784

IUPAC4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCc6ccccc6)c5)cc34)nc12
InChIInChI=1S/C31H21FN6O/c32-25-9-5-4-8-23(25)28-30-27(12-13-34-28)35-31(36-30)29-24-15-20(10-11-26(24)37-38-29)21-14-22(17-33-16-21)39-18-19-6-2-1-3-7-19/h1-17H,18H2,(H,35,36)(H,37,38)
InChIKeyDANLGAPZJVJUDD-UHFFFAOYSA-N
MW512.55 g/mol
LogP6.95
Rot. Bonds6

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

4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936784) has the molecular formula C31H21FN6O and a molecular weight of 512.55 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936784
Molecular FormulaC31H21FN6O
Molecular Weight512.55 g/mol
Exact Mass512.18
IUPAC Name4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCc6ccccc6)c5)cc34)nc12
InChIInChI=1S/C31H21FN6O/c32-25-9-5-4-8-23(25)28-30-27(12-13-34-28)35-31(36-30)29-24-15-20(10-11-26(24)37-38-29)21-14-22(17-33-16-21)39-18-19-6-2-1-3-7-19/h1-17H,18H2,(H,35,36)(H,37,38)
InChIKeyDANLGAPZJVJUDD-UHFFFAOYSA-N
XLogP6.95
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936784) is 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OCc6ccccc6)c5)cc34)nc12.
What is the InChIKey of 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is DANLGAPZJVJUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN6O/c32-25-9-5-4-8-23(25)28-30-27(12-13-34-28)35-31(36-30)29-24-15-20(10-11-26(24)37-38-29)21-14-22(17-33-16-21)39-18-19-6-2-1-3-7-19/h1-17H,18H2,(H,35,36)(H,37,38).
What are the key properties of 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 512.55 g/mol, XLogP of 6.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).