5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole

C27H25F2N5O — CID 123823910

IUPAC5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole
SMILESFc1cccc(F)c1-c1ccc2c(c1)c(-c1cncc(C3C=CCCN3)n1)nn2C1CCCCO1
InChIInChI=1S/C27H25F2N5O/c28-19-6-5-7-20(29)26(19)17-10-11-24-18(14-17)27(33-34(24)25-9-2-4-13-35-25)23-16-30-15-22(32-23)21-8-1-3-12-31-21/h1,5-8,10-11,14-16,21,25,31H,2-4,9,12-13H2
InChIKeyBZUGFLYUGZRSKI-UHFFFAOYSA-N
MW473.53 g/mol
LogP5.73
Rot. Bonds4

About 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole

5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole (PubChem CID 123823910) has the molecular formula C27H25F2N5O and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole
PubChem CID123823910
Molecular FormulaC27H25F2N5O
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole
SMILESFc1cccc(F)c1-c1ccc2c(c1)c(-c1cncc(C3C=CCCN3)n1)nn2C1CCCCO1
InChIInChI=1S/C27H25F2N5O/c28-19-6-5-7-20(29)26(19)17-10-11-24-18(14-17)27(33-34(24)25-9-2-4-13-35-25)23-16-30-15-22(32-23)21-8-1-3-12-31-21/h1,5-8,10-11,14-16,21,25,31H,2-4,9,12-13H2
InChIKeyBZUGFLYUGZRSKI-UHFFFAOYSA-N
XLogP5.73
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
Cdk8-IN-4
CID 75202254
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
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7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
4-[[2,6-Difluoro-4-[3-(1-piperidin-1-ium-4-ylpyrazol-4-yl)quinoxalin-5-yl]phenyl]methyl]morpholin-4-ium
CID 72200117
5-(2,6-difluorophenyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67959600
5-(2,6-difluorophenyl)-3-(6-piperidin-4-yloxypyrazin-2-yl)-1H-indazole
CID 67960161
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazol-6-amine
CID 134611936
3-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methyl-1-(pyrazin-2-ylmethyl)indazol-6-amine
CID 134611939
5-(2,6-difluorophenyl)-3-[6-(4-methylidenepiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
CID 118725601
5-(2,6-difluorophenyl)-3-[6-(4,4-dimethylpiperidin-3-yl)oxypyrazin-2-yl]-1H-indazole
CID 118725602

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole?
The IUPAC name of 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole (CID 123823910) is 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole?
The canonical SMILES for 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole is Fc1cccc(F)c1-c1ccc2c(c1)c(-c1cncc(C3C=CCCN3)n1)nn2C1CCCCO1.
What is the InChIKey of 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole?
The InChIKey is BZUGFLYUGZRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N5O/c28-19-6-5-7-20(29)26(19)17-10-11-24-18(14-17)27(33-34(24)25-9-2-4-13-35-25)23-16-30-15-22(32-23)21-8-1-3-12-31-21/h1,5-8,10-11,14-16,21,25,31H,2-4,9,12-13H2.
What are the key properties of 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole?
5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole has a molecular weight of 473.53 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-1-(oxan-2-yl)-3-[6-(1,2,3,6-tetrahydropyridin-6-yl)pyrazin-2-yl]indazole is sourced from PubChem (CID 123823910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).