6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C28H26FN9O — CID 56968983

IUPAC6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6ncnn6c5)c4c3)nn2)C1
InChIInChI=1S/C28H26FN9O/c1-39-26-6-2-5-23(29)22(26)15-36-11-3-4-18(13-36)25-16-37(35-33-25)20-8-9-24-21(12-20)28(34-32-24)19-7-10-27-30-17-31-38(27)14-19/h2,5-10,12,14,16-18H,3-4,11,13,15H2,1H3,(H,32,34)/t18-/m1/s1
InChIKeyJCWAOGMKMGMOCN-GOSISDBHSA-N
MW523.58 g/mol
LogP4.38
Rot. Bonds6

About 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 56968983) has the molecular formula C28H26FN9O and a molecular weight of 523.58 g/mol. Its IUPAC name is 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID56968983
Molecular FormulaC28H26FN9O
Molecular Weight523.58 g/mol
Exact Mass523.22
IUPAC Name6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6ncnn6c5)c4c3)nn2)C1
InChIInChI=1S/C28H26FN9O/c1-39-26-6-2-5-23(29)22(26)15-36-11-3-4-18(13-36)25-16-37(35-33-25)20-8-9-24-21(12-20)28(34-32-24)19-7-10-27-30-17-31-38(27)14-19/h2,5-10,12,14,16-18H,3-4,11,13,15H2,1H3,(H,32,34)/t18-/m1/s1
InChIKeyJCWAOGMKMGMOCN-GOSISDBHSA-N
XLogP4.38
TPSA102.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.58
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 56968983) is 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccc6ncnn6c5)c4c3)nn2)C1.
What is the InChIKey of 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JCWAOGMKMGMOCN-GOSISDBHSA-N. The full InChI is InChI=1S/C28H26FN9O/c1-39-26-6-2-5-23(29)22(26)15-36-11-3-4-18(13-36)25-16-37(35-33-25)20-8-9-24-21(12-20)28(34-32-24)19-7-10-27-30-17-31-38(27)14-19/h2,5-10,12,14,16-18H,3-4,11,13,15H2,1H3,(H,32,34)/t18-/m1/s1.
What are the key properties of 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 523.58 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 56968983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).