6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one

C30H27F2N7O2 — CID 25173296

IUPAC6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)c1
InChIInChI=1S/C30H27F2N7O2/c31-26-13-23(14-27(32)15-26)28-4-5-29(40)39(36-28)19-21-2-1-3-22(12-21)30-33-16-24(17-34-30)25-18-35-38(20-25)7-6-37-8-10-41-11-9-37/h1-5,12-18,20H,6-11,19H2
InChIKeyWUZDQNQUVAHIJN-UHFFFAOYSA-N
MW555.59 g/mol
LogP3.89
Rot. Bonds8

About 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one

6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one (PubChem CID 25173296) has the molecular formula C30H27F2N7O2 and a molecular weight of 555.59 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
PubChem CID25173296
Molecular FormulaC30H27F2N7O2
Molecular Weight555.59 g/mol
Exact Mass555.22
IUPAC Name6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)c1
InChIInChI=1S/C30H27F2N7O2/c31-26-13-23(14-27(32)15-26)28-4-5-29(40)39(36-28)19-21-2-1-3-22(12-21)30-33-16-24(17-34-30)25-18-35-38(20-25)7-6-37-8-10-41-11-9-37/h1-5,12-18,20H,6-11,19H2
InChIKeyWUZDQNQUVAHIJN-UHFFFAOYSA-N
XLogP3.89
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.59
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one (CID 25173296) is 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one is O=c1ccc(-c2cc(F)cc(F)c2)nn1Cc1cccc(-c2ncc(-c3cnn(CCN4CCOCC4)c3)cn2)c1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
The InChIKey is WUZDQNQUVAHIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N7O2/c31-26-13-23(14-27(32)15-26)28-4-5-29(40)39(36-28)19-21-2-1-3-22(12-21)30-33-16-24(17-34-30)25-18-35-38(20-25)7-6-37-8-10-41-11-9-37/h1-5,12-18,20H,6-11,19H2.
What are the key properties of 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one?
6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one has a molecular weight of 555.59 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-[[3-[5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 25173296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).