2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine

C23H31N7 — CID 163350782

IUPAC2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
SMILESCc1cc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc(C2CC2)n1
InChIInChI=1S/C23H31N7/c1-16-14-21(26-22(24-16)17-6-7-17)29-11-5-10-28(12-13-29)20-9-8-19-25-18(23(2,3)4)15-30(19)27-20/h8-9,14-15,17H,5-7,10-13H2,1-4H3
InChIKeyZDVLMMFVRRMHGM-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.72
Rot. Bonds3

About 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine

2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 163350782) has the molecular formula C23H31N7 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
PubChem CID163350782
Molecular FormulaC23H31N7
Molecular Weight405.55 g/mol
Exact Mass405.26
IUPAC Name2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
SMILESCc1cc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc(C2CC2)n1
InChIInChI=1S/C23H31N7/c1-16-14-21(26-22(24-16)17-6-7-17)29-11-5-10-28(12-13-29)20-9-8-19-25-18(23(2,3)4)15-30(19)27-20/h8-9,14-15,17H,5-7,10-13H2,1-4H3
InChIKeyZDVLMMFVRRMHGM-UHFFFAOYSA-N
XLogP3.72
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-tert-butyl-6-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350672
5-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 155975009
2-tert-butyl-6-[4-(5-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350565
1-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-N-methylazetidin-3-amine
CID 171704098
4-[[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methyl]-1-methylpyridin-2-one
CID 163350558
6-[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazine
CID 155974869
2-tert-butyl-6-[4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163352474
6-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-5-chloropyridine-3-carbonitrile
CID 155974931
2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 155974879
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-methylimidazo[1,2-b]pyridazine
CID 155974777
4-[4-(2-tert-butylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 155975229
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927797

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine (CID 163350782) is 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine is Cc1cc(N2CCCN(c3ccc4nc(C(C)(C)C)cn4n3)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is ZDVLMMFVRRMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7/c1-16-14-21(26-22(24-16)17-6-7-17)29-11-5-10-28(12-13-29)20-9-8-19-25-18(23(2,3)4)15-30(19)27-20/h8-9,14-15,17H,5-7,10-13H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine?
2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 405.55 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 163350782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).