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

C31H21FN6O — CID 136936766

IUPAC4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)nc23)cc1
InChIInChI=1S/C31H21FN6O/c32-23-9-6-20(7-10-23)28-30-27(12-13-34-28)35-31(36-30)29-25-15-21(8-11-26(25)37-38-29)22-14-24(17-33-16-22)39-18-19-4-2-1-3-5-19/h1-17H,18H2,(H,35,36)(H,37,38)
InChIKeyWFODBXIVJVBAKU-UHFFFAOYSA-N
MW512.55 g/mol
LogP6.95
Rot. Bonds6

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

4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936766) has the molecular formula C31H21FN6O and a molecular weight of 512.55 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936766
Molecular FormulaC31H21FN6O
Molecular Weight512.55 g/mol
Exact Mass512.18
IUPAC Name4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)nc23)cc1
InChIInChI=1S/C31H21FN6O/c32-23-9-6-20(7-10-23)28-30-27(12-13-34-28)35-31(36-30)29-25-15-21(8-11-26(25)37-38-29)22-14-24(17-33-16-22)39-18-19-4-2-1-3-5-19/h1-17H,18H2,(H,35,36)(H,37,38)
InChIKeyWFODBXIVJVBAKU-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-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936766) is 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OCc7ccccc7)c6)cc45)nc23)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is WFODBXIVJVBAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21FN6O/c32-23-9-6-20(7-10-23)28-30-27(12-13-34-28)35-31(36-30)29-25-15-21(8-11-26(25)37-38-29)22-14-24(17-33-16-22)39-18-19-4-2-1-3-5-19/h1-17H,18H2,(H,35,36)(H,37,38).
What are the key properties of 4-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(4-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-(4-fluorophenyl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).