5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole

C26H23F2N7 — CID 56968767

IUPAC5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
SMILESFc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
InChIInChI=1S/C26H23F2N7/c27-22-4-1-5-23(28)21(22)15-34-12-2-3-18(14-34)25-16-35(33-31-25)19-6-7-24-20(13-19)26(32-30-24)17-8-10-29-11-9-17/h1,4-11,13,16,18H,2-3,12,14-15H2,(H,30,32)/t18-/m1/s1
InChIKeyZBQNJVGTYIBILN-GOSISDBHSA-N
MW471.52 g/mol
LogP4.86
Rot. Bonds5

About 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole

5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole (PubChem CID 56968767) has the molecular formula C26H23F2N7 and a molecular weight of 471.52 g/mol. Its IUPAC name is 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
PubChem CID56968767
Molecular FormulaC26H23F2N7
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
SMILESFc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1
InChIInChI=1S/C26H23F2N7/c27-22-4-1-5-23(28)21(22)15-34-12-2-3-18(14-34)25-16-35(33-31-25)19-6-7-24-20(13-19)26(32-30-24)17-8-10-29-11-9-17/h1,4-11,13,16,18H,2-3,12,14-15H2,(H,30,32)/t18-/m1/s1
InChIKeyZBQNJVGTYIBILN-GOSISDBHSA-N
XLogP4.86
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
The IUPAC name of 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole (CID 56968767) is 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
The canonical SMILES for 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole is Fc1cccc(F)c1CN1CCC[C@@H](c2cn(-c3ccc4[nH]nc(-c5ccncc5)c4c3)nn2)C1.
What is the InChIKey of 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
The InChIKey is ZBQNJVGTYIBILN-GOSISDBHSA-N. The full InChI is InChI=1S/C26H23F2N7/c27-22-4-1-5-23(28)21(22)15-34-12-2-3-18(14-34)25-16-35(33-31-25)19-6-7-24-20(13-19)26(32-30-24)17-8-10-29-11-9-17/h1,4-11,13,16,18H,2-3,12,14-15H2,(H,30,32)/t18-/m1/s1.
What are the key properties of 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole?
5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole has a molecular weight of 471.52 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 56968767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).