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

C30H25FN6O — CID 136936778

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)cc34)nc12
InChIInChI=1S/C30H25FN6O/c31-24-9-5-4-8-22(24)27-29-26(12-13-33-27)34-30(35-29)28-23-15-18(10-11-25(23)36-37-28)19-14-21(17-32-16-19)38-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,34,35)(H,36,37)
InChIKeySEGJTZYBRXLCKK-UHFFFAOYSA-N
MW504.57 g/mol
LogP7.08
Rot. Bonds5

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936778) has the molecular formula C30H25FN6O and a molecular weight of 504.57 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936778
Molecular FormulaC30H25FN6O
Molecular Weight504.57 g/mol
Exact Mass504.21
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)cc34)nc12
InChIInChI=1S/C30H25FN6O/c31-24-9-5-4-8-22(24)27-29-26(12-13-33-27)34-30(35-29)28-23-15-18(10-11-25(23)36-37-28)19-14-21(17-32-16-19)38-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,34,35)(H,36,37)
InChIKeySEGJTZYBRXLCKK-UHFFFAOYSA-N
XLogP7.08
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine (CID 136936778) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)cc34)nc12.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is SEGJTZYBRXLCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O/c31-24-9-5-4-8-22(24)27-29-26(12-13-33-27)34-30(35-29)28-23-15-18(10-11-25(23)36-37-28)19-14-21(17-32-16-19)38-20-6-2-1-3-7-20/h4-5,8-17,20H,1-3,6-7H2,(H,34,35)(H,36,37).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 504.57 g/mol, XLogP of 7.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).