6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine

C29H34N6 — CID 67292784

IUPAC6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine
SMILESCCc1nn(C2CCC2)c2cc(N3CCN(c4cccc(N)n4)C(Cc4ccccc4)C3)ccc12
InChIInChI=1S/C29H34N6/c1-2-26-25-15-14-23(19-27(25)35(32-26)22-10-6-11-22)33-16-17-34(29-13-7-12-28(30)31-29)24(20-33)18-21-8-4-3-5-9-21/h3-5,7-9,12-15,19,22,24H,2,6,10-11,16-18,20H2,1H3,(H2,30,31)
InChIKeyDWBJOQDSEUMYPJ-UHFFFAOYSA-N
MW466.63 g/mol
LogP5.24
Rot. Bonds6

About 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine

6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine (PubChem CID 67292784) has the molecular formula C29H34N6 and a molecular weight of 466.63 g/mol. Its IUPAC name is 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine
PubChem CID67292784
Molecular FormulaC29H34N6
Molecular Weight466.63 g/mol
Exact Mass466.28
IUPAC Name6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine
SMILESCCc1nn(C2CCC2)c2cc(N3CCN(c4cccc(N)n4)C(Cc4ccccc4)C3)ccc12
InChIInChI=1S/C29H34N6/c1-2-26-25-15-14-23(19-27(25)35(32-26)22-10-6-11-22)33-16-17-34(29-13-7-12-28(30)31-29)24(20-33)18-21-8-4-3-5-9-21/h3-5,7-9,12-15,19,22,24H,2,6,10-11,16-18,20H2,1H3,(H2,30,31)
InChIKeyDWBJOQDSEUMYPJ-UHFFFAOYSA-N
XLogP5.24
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine (CID 67292784) is 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine is CCc1nn(C2CCC2)c2cc(N3CCN(c4cccc(N)n4)C(Cc4ccccc4)C3)ccc12.
What is the InChIKey of 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is DWBJOQDSEUMYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6/c1-2-26-25-15-14-23(19-27(25)35(32-26)22-10-6-11-22)33-16-17-34(29-13-7-12-28(30)31-29)24(20-33)18-21-8-4-3-5-9-21/h3-5,7-9,12-15,19,22,24H,2,6,10-11,16-18,20H2,1H3,(H2,30,31).
What are the key properties of 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine?
6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 466.63 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-benzyl-4-(1-cyclobutyl-3-ethylindazol-6-yl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 67292784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).