2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine

C28H24FN7O — CID 136936611

IUPAC2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccoc5)nccc4[nH]3)c12
InChIInChI=1S/C28H24FN7O/c29-24-20(19-12-17(13-30-14-19)15-36-9-2-1-3-10-36)4-5-21-23(24)27(35-34-21)28-32-22-6-8-31-25(26(22)33-28)18-7-11-37-16-18/h4-8,11-14,16H,1-3,9-10,15H2,(H,32,33)(H,34,35)
InChIKeyABXYMUNNDVMVCA-UHFFFAOYSA-N
MW493.55 g/mol
LogP5.95
Rot. Bonds5

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

2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936611) has the molecular formula C28H24FN7O and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936611
Molecular FormulaC28H24FN7O
Molecular Weight493.55 g/mol
Exact Mass493.20
IUPAC Name2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccoc5)nccc4[nH]3)c12
InChIInChI=1S/C28H24FN7O/c29-24-20(19-12-17(13-30-14-19)15-36-9-2-1-3-10-36)4-5-21-23(24)27(35-34-21)28-32-22-6-8-31-25(26(22)33-28)18-7-11-37-16-18/h4-8,11-14,16H,1-3,9-10,15H2,(H,32,33)(H,34,35)
InChIKeyABXYMUNNDVMVCA-UHFFFAOYSA-N
XLogP5.95
TPSA99.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136936611) is 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is Fc1c(-c2cncc(CN3CCCCC3)c2)ccc2[nH]nc(-c3nc4c(-c5ccoc5)nccc4[nH]3)c12.
What is the InChIKey of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is ABXYMUNNDVMVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O/c29-24-20(19-12-17(13-30-14-19)15-36-9-2-1-3-10-36)4-5-21-23(24)27(35-34-21)28-32-22-6-8-31-25(26(22)33-28)18-7-11-37-16-18/h4-8,11-14,16H,1-3,9-10,15H2,(H,32,33)(H,34,35).
What are the key properties of 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 493.55 g/mol, XLogP of 5.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).