4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

C20H25N9 — CID 155975229

IUPAC4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)ncnc21
InChIInChI=1S/C20H25N9/c1-20(2,3)15-12-29-16(24-15)5-6-17(25-29)27-7-9-28(10-8-27)19-14-11-23-26(4)18(14)21-13-22-19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyOULBCSKZWRGLSY-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.03
Rot. Bonds2

About 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 155975229) has the molecular formula C20H25N9 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID155975229
Molecular FormulaC20H25N9
Molecular Weight391.48 g/mol
Exact Mass391.22
IUPAC Name4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)ncnc21
InChIInChI=1S/C20H25N9/c1-20(2,3)15-12-29-16(24-15)5-6-17(25-29)27-7-9-28(10-8-27)19-14-11-23-26(4)18(14)21-13-22-19/h5-6,11-13H,7-10H2,1-4H3
InChIKeyOULBCSKZWRGLSY-UHFFFAOYSA-N
XLogP2.03
TPSA80.27 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
CID 155974931
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350565
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 155974879
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
1-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 155942665
2-tert-butyl-6-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350672
1-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 171704098
2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350782

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 155975229) is 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(N3CCN(c4ccc5nc(C(C)(C)C)cn5n4)CC3)ncnc21.
What is the InChIKey of 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is OULBCSKZWRGLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9/c1-20(2,3)15-12-29-16(24-15)5-6-17(25-29)27-7-9-28(10-8-27)19-14-11-23-26(4)18(14)21-13-22-19/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 391.48 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 155975229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).