5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H22BrN7 — CID 143439957

IUPAC5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CC=C(c2cnn3c(N)c(Br)c(C4CCCC(N)C4)nc23)C=N1
InChIInChI=1S/C17H22BrN7/c1-24-6-5-11(8-21-24)13-9-22-25-16(20)14(18)15(23-17(13)25)10-3-2-4-12(19)7-10/h5,8-10,12H,2-4,6-7,19-20H2,1H3
InChIKeyKHPXOJWXTAMCAT-UHFFFAOYSA-N
MW404.32 g/mol
LogP2.37
Rot. Bonds2

About 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 143439957) has the molecular formula C17H22BrN7 and a molecular weight of 404.32 g/mol. Its IUPAC name is 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID143439957
Molecular FormulaC17H22BrN7
Molecular Weight404.32 g/mol
Exact Mass403.11
IUPAC Name5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN1CC=C(c2cnn3c(N)c(Br)c(C4CCCC(N)C4)nc23)C=N1
InChIInChI=1S/C17H22BrN7/c1-24-6-5-11(8-21-24)13-9-22-25-16(20)14(18)15(23-17(13)25)10-3-2-4-12(19)7-10/h5,8-10,12H,2-4,6-7,19-20H2,1H3
InChIKeyKHPXOJWXTAMCAT-UHFFFAOYSA-N
XLogP2.37
TPSA97.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 143439957) is 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CN1CC=C(c2cnn3c(N)c(Br)c(C4CCCC(N)C4)nc23)C=N1.
What is the InChIKey of 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KHPXOJWXTAMCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN7/c1-24-6-5-11(8-21-24)13-9-22-25-16(20)14(18)15(23-17(13)25)10-3-2-4-12(19)7-10/h5,8-10,12H,2-4,6-7,19-20H2,1H3.
What are the key properties of 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 404.32 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclohexyl)-6-bromo-3-(2-methyl-3H-pyridazin-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 143439957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).