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

C29H24FN7O — CID 136936779

IUPAC4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc12
InChIInChI=1S/C29H24FN7O/c30-23-4-2-1-3-21(23)26-28-25(9-12-33-26)34-29(35-28)27-22-14-17(5-6-24(22)36-37-27)18-13-20(16-32-15-18)38-19-7-10-31-11-8-19/h1-6,9,12-16,19,31H,7-8,10-11H2,(H,34,35)(H,36,37)
InChIKeyRMSLEVHZVHTSPI-UHFFFAOYSA-N
MW505.56 g/mol
LogP5.50
Rot. Bonds5

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

4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936779) has the molecular formula C29H24FN7O and a molecular weight of 505.56 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936779
Molecular FormulaC29H24FN7O
Molecular Weight505.56 g/mol
Exact Mass505.20
IUPAC Name4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESFc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc12
InChIInChI=1S/C29H24FN7O/c30-23-4-2-1-3-21(23)26-28-25(9-12-33-26)34-29(35-28)27-22-14-17(5-6-24(22)36-37-27)18-13-20(16-32-15-18)38-19-7-10-31-11-8-19/h1-6,9,12-16,19,31H,7-8,10-11H2,(H,34,35)(H,36,37)
InChIKeyRMSLEVHZVHTSPI-UHFFFAOYSA-N
XLogP5.50
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.56
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936779) is 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is Fc1ccccc1-c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCNCC6)c5)cc34)nc12.
What is the InChIKey of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is RMSLEVHZVHTSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN7O/c30-23-4-2-1-3-21(23)26-28-25(9-12-33-26)34-29(35-28)27-22-14-17(5-6-24(22)36-37-27)18-13-20(16-32-15-18)38-19-7-10-31-11-8-19/h1-6,9,12-16,19,31H,7-8,10-11H2,(H,34,35)(H,36,37).
What are the key properties of 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 505.56 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).