4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole

C26H28BrN5O2 — CID 166146394

IUPAC4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole
SMILESCc1cccc(-c2nn(C3CCCCO3)cc2-c2cc(Br)c3cnn(C4CCCCO4)c3c2)n1
InChIInChI=1S/C26H28BrN5O2/c1-17-7-6-8-22(29-17)26-20(16-31(30-26)24-9-2-4-11-33-24)18-13-21(27)19-15-28-32(23(19)14-18)25-10-3-5-12-34-25/h6-8,13-16,24-25H,2-5,9-12H2,1H3
InChIKeyGEACHHFGIRNFLK-UHFFFAOYSA-N
MW522.45 g/mol
LogP6.43
Rot. Bonds4

About 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole

4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole (PubChem CID 166146394) has the molecular formula C26H28BrN5O2 and a molecular weight of 522.45 g/mol. Its IUPAC name is 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole
PubChem CID166146394
Molecular FormulaC26H28BrN5O2
Molecular Weight522.45 g/mol
Exact Mass521.14
IUPAC Name4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole
SMILESCc1cccc(-c2nn(C3CCCCO3)cc2-c2cc(Br)c3cnn(C4CCCCO4)c3c2)n1
InChIInChI=1S/C26H28BrN5O2/c1-17-7-6-8-22(29-17)26-20(16-31(30-26)24-9-2-4-11-33-24)18-13-21(27)19-15-28-32(23(19)14-18)25-10-3-5-12-34-25/h6-8,13-16,24-25H,2-5,9-12H2,1H3
InChIKeyGEACHHFGIRNFLK-UHFFFAOYSA-N
XLogP6.43
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-5-[5-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole;phosphane
CID 166146302
6-[3-(methylamino)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazol-4-amine
CID 174316743
4-bromo-1-(oxan-2-yl)pyrazolo[3,4-c]pyridine
CID 121228913
4-bromo-5-methyl-1-(oxan-2-yl)indazole
CID 71307646
(4-methylpiperazin-1-yl)-[2-[4-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-2-pyridinyl]-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]methanone
CID 170783930
4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-amine
CID 68668176
2-[4-bromo-1-(oxolan-3-yl)pyrazol-3-yl]-6-methylpyridine
CID 139505146
1-[(2S)-oxan-2-yl]indazole
CID 124562379
N-[4-(3-methylphenyl)-1-(oxan-2-yl)pyrazol-3-yl]acetamide
CID 68667821
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole?
The IUPAC name of 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole (CID 166146394) is 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole.
What is the SMILES notation for 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole?
The canonical SMILES for 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole is Cc1cccc(-c2nn(C3CCCCO3)cc2-c2cc(Br)c3cnn(C4CCCCO4)c3c2)n1.
What is the InChIKey of 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole?
The InChIKey is GEACHHFGIRNFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN5O2/c1-17-7-6-8-22(29-17)26-20(16-31(30-26)24-9-2-4-11-33-24)18-13-21(27)19-15-28-32(23(19)14-18)25-10-3-5-12-34-25/h6-8,13-16,24-25H,2-5,9-12H2,1H3.
What are the key properties of 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole?
4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole has a molecular weight of 522.45 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-1-(oxan-2-yl)indazole is sourced from PubChem (CID 166146394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).