7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine

C23H33N7 — CID 75201418

IUPAC7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2cc(C3CCCCC3)c(CCc3nc(N4CCCC4)nn3C)nn2c1C
InChIInChI=1S/C23H33N7/c1-16-17(2)30-22(24-16)15-19(18-9-5-4-6-10-18)20(26-30)11-12-21-25-23(27-28(21)3)29-13-7-8-14-29/h15,18H,4-14H2,1-3H3
InChIKeyPRFUPIWZWZXQAF-UHFFFAOYSA-N
MW407.57 g/mol
LogP3.91
Rot. Bonds5

About 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine

7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine (PubChem CID 75201418) has the molecular formula C23H33N7 and a molecular weight of 407.57 g/mol. Its IUPAC name is 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine
PubChem CID75201418
Molecular FormulaC23H33N7
Molecular Weight407.57 g/mol
Exact Mass407.28
IUPAC Name7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine
SMILESCc1nc2cc(C3CCCCC3)c(CCc3nc(N4CCCC4)nn3C)nn2c1C
InChIInChI=1S/C23H33N7/c1-16-17(2)30-22(24-16)15-19(18-9-5-4-6-10-18)20(26-30)11-12-21-25-23(27-28(21)3)29-13-7-8-14-29/h15,18H,4-14H2,1-3H3
InChIKeyPRFUPIWZWZXQAF-UHFFFAOYSA-N
XLogP3.91
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine (CID 75201418) is 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine is Cc1nc2cc(C3CCCCC3)c(CCc3nc(N4CCCC4)nn3C)nn2c1C.
What is the InChIKey of 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine?
The InChIKey is PRFUPIWZWZXQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7/c1-16-17(2)30-22(24-16)15-19(18-9-5-4-6-10-18)20(26-30)11-12-21-25-23(27-28(21)3)29-13-7-8-14-29/h15,18H,4-14H2,1-3H3.
What are the key properties of 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine?
7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine has a molecular weight of 407.57 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-2,3-dimethyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 75201418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).