5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole

C19H23BrN6O — CID 155381453

IUPAC5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-n2ncc3cc(Br)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
InChIInChI=1S/C19H23BrN6O/c1-19(12-27-13-19)25-5-3-24(4-6-25)18-8-17-14(7-16(18)20)9-22-26(17)15-10-21-23(2)11-15/h7-11H,3-6,12-13H2,1-2H3
InChIKeySJPHGJKEGMSUJX-UHFFFAOYSA-N
MW431.34 g/mol
LogP2.43
Rot. Bonds3

About 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole

5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole (PubChem CID 155381453) has the molecular formula C19H23BrN6O and a molecular weight of 431.34 g/mol. Its IUPAC name is 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole.

Molecular Properties

Compound Name5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole
PubChem CID155381453
Molecular FormulaC19H23BrN6O
Molecular Weight431.34 g/mol
Exact Mass430.11
IUPAC Name5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole
SMILESCn1cc(-n2ncc3cc(Br)c(N4CCN(C5(C)COC5)CC4)cc32)cn1
InChIInChI=1S/C19H23BrN6O/c1-19(12-27-13-19)25-5-3-24(4-6-25)18-8-17-14(7-16(18)20)9-22-26(17)15-10-21-23(2)11-15/h7-11H,3-6,12-13H2,1-2H3
InChIKeySJPHGJKEGMSUJX-UHFFFAOYSA-N
XLogP2.43
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole?
The IUPAC name of 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole (CID 155381453) is 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole.
What is the SMILES notation for 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole?
The canonical SMILES for 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole is Cn1cc(-n2ncc3cc(Br)c(N4CCN(C5(C)COC5)CC4)cc32)cn1.
What is the InChIKey of 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole?
The InChIKey is SJPHGJKEGMSUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN6O/c1-19(12-27-13-19)25-5-3-24(4-6-25)18-8-17-14(7-16(18)20)9-22-26(17)15-10-21-23(2)11-15/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole?
5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole has a molecular weight of 431.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[4-(3-methyloxetan-3-yl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)indazole is sourced from PubChem (CID 155381453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).