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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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).