3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one

C30H40N8O2 — CID 143996985

IUPAC3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one
SMILESCc1c(NC(=C2CCC2)N2CC(OC(C)(C)C)C2)cccc1-c1cc(Nc2cc3n(n2)CCN(C)C3)c(=O)[nH]n1
InChIInChI=1S/C30H40N8O2/c1-19-23(25-15-26(29(39)34-33-25)31-27-14-21-16-36(5)12-13-38(21)35-27)10-7-11-24(19)32-28(20-8-6-9-20)37-17-22(18-37)40-30(2,3)4/h7,10-11,14-15,22,32H,6,8-9,12-13,16-18H2,1-5H3,(H,34,39)(H,31,33,35)
InChIKeyMGTBCFVPDFSZIJ-UHFFFAOYSA-N
MW544.70 g/mol
LogP4.44
Rot. Bonds7

About 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one

3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one (PubChem CID 143996985) has the molecular formula C30H40N8O2 and a molecular weight of 544.70 g/mol. Its IUPAC name is 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one
PubChem CID143996985
Molecular FormulaC30H40N8O2
Molecular Weight544.70 g/mol
Exact Mass544.33
IUPAC Name3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one
SMILESCc1c(NC(=C2CCC2)N2CC(OC(C)(C)C)C2)cccc1-c1cc(Nc2cc3n(n2)CCN(C)C3)c(=O)[nH]n1
InChIInChI=1S/C30H40N8O2/c1-19-23(25-15-26(29(39)34-33-25)31-27-14-21-16-36(5)12-13-38(21)35-27)10-7-11-24(19)32-28(20-8-6-9-20)37-17-22(18-37)40-30(2,3)4/h7,10-11,14-15,22,32H,6,8-9,12-13,16-18H2,1-5H3,(H,34,39)(H,31,33,35)
InChIKeyMGTBCFVPDFSZIJ-UHFFFAOYSA-N
XLogP4.44
TPSA103.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.70
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one (CID 143996985) is 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one is Cc1c(NC(=C2CCC2)N2CC(OC(C)(C)C)C2)cccc1-c1cc(Nc2cc3n(n2)CCN(C)C3)c(=O)[nH]n1.
What is the InChIKey of 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one?
The InChIKey is MGTBCFVPDFSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N8O2/c1-19-23(25-15-26(29(39)34-33-25)31-27-14-21-16-36(5)12-13-38(21)35-27)10-7-11-24(19)32-28(20-8-6-9-20)37-17-22(18-37)40-30(2,3)4/h7,10-11,14-15,22,32H,6,8-9,12-13,16-18H2,1-5H3,(H,34,39)(H,31,33,35).
What are the key properties of 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one?
3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one has a molecular weight of 544.70 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[cyclobutylidene-[3-[(2-methylpropan-2-yl)oxy]azetidin-1-yl]methyl]amino]-2-methylphenyl]-5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 143996985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).