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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Related Compounds

5-[4-[(3R)-1-[deuterio-(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-imidazo[1,2-a]pyridin-6-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole;5-[4-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-1-yl]-3-pyridin-4-yl-1H-indazole
CID 159008464
2-ethenyl-6-[5-[4-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazol-1-yl]-1H-indazol-3-yl]-1,3-benzothiazole
CID 163841042
5-[1-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-3-pyridin-4-yl-1H-indazole
CID 86695577
N-[1-[(2-fluoro-6-methylphenyl)methyl]azepan-3-yl]-3-pyridin-4-yl-1H-indazole-5-carboxamide
CID 70652288
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
N-[[3-(2-chloro-4-pyridinyl)-6-methyl-1H-indazol-5-yl]methyl]-1-[(2,6-difluorophenyl)methyl]piperidin-3-amine
CID 123762873
2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 149368062
5-[6-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-4,5-dihydrodiazepin-1-yl]-3-pyridin-4-yl-5,6-dihydro-1H-indazole
CID 123265262
2-(2-fluorophenyl)-6-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809145
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
2-(2-fluorophenyl)-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809144
2-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-5-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-1,3,4-oxadiazole;2-[3-(2-chloro-4-pyridinyl)-1H-indazol-5-yl]-5-[(3R)-1-[(2-fluoro-6-methylphenyl)methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 161120788

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).