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4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one

C23H26N6O2 — CID 167503745

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one
SMILESCn1ccc(-c2ccc(-c3ccc(N4CCC(NC5CCC5)C4)nn3)c(O)c2)nc1=O
InChIInChI=1S/C23H26N6O2/c1-28-11-10-19(25-23(28)31)15-5-6-18(21(30)13-15)20-7-8-22(27-26-20)29-12-9-17(14-29)24-16-3-2-4-16/h5-8,10-11,13,16-17,24,30H,2-4,9,12,14H2,1H3
InChIKeyVYEXGBMCEVQIQX-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.33
Rot. Bonds5

About 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one

4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one (PubChem CID 167503745) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one
PubChem CID167503745
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one
SMILESCn1ccc(-c2ccc(-c3ccc(N4CCC(NC5CCC5)C4)nn3)c(O)c2)nc1=O
InChIInChI=1S/C23H26N6O2/c1-28-11-10-19(25-23(28)31)15-5-6-18(21(30)13-15)20-7-8-22(27-26-20)29-12-9-17(14-29)24-16-3-2-4-16/h5-8,10-11,13,16-17,24,30H,2-4,9,12,14H2,1H3
InChIKeyVYEXGBMCEVQIQX-UHFFFAOYSA-N
XLogP2.33
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one?
The IUPAC name of 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one (CID 167503745) is 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one?
The canonical SMILES for 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one is Cn1ccc(-c2ccc(-c3ccc(N4CCC(NC5CCC5)C4)nn3)c(O)c2)nc1=O.
What is the InChIKey of 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one?
The InChIKey is VYEXGBMCEVQIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28-11-10-19(25-23(28)31)15-5-6-18(21(30)13-15)20-7-8-22(27-26-20)29-12-9-17(14-29)24-16-3-2-4-16/h5-8,10-11,13,16-17,24,30H,2-4,9,12,14H2,1H3.
What are the key properties of 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one?
4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one has a molecular weight of 418.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[3-(cyclobutylamino)pyrrolidin-1-yl]pyridazin-3-yl]-3-hydroxyphenyl]-1-methylpyrimidin-2-one is sourced from PubChem (CID 167503745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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