2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

C22H26N6O — CID 126936752

IUPAC2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCC(C)c1nccc(NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)n1
InChIInChI=1S/C22H26N6O/c1-15(2)22-24-14-11-20(26-22)25-17-3-5-18(6-4-17)28-21(29)8-7-19(27-28)16-9-12-23-13-10-16/h7-15,17-18H,3-6H2,1-2H3,(H,24,25,26)
InChIKeyDXWNITPEOWBWPU-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.81
Rot. Bonds5

About 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936752) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936752
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCC(C)c1nccc(NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)n1
InChIInChI=1S/C22H26N6O/c1-15(2)22-24-14-11-20(26-22)25-17-3-5-18(6-4-17)28-21(29)8-7-19(27-28)16-9-12-23-13-10-16/h7-15,17-18H,3-6H2,1-2H3,(H,24,25,26)
InChIKeyDXWNITPEOWBWPU-UHFFFAOYSA-N
XLogP3.81
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-2-propan-2-ylpyrimidin-4-amine
CID 130920544
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936683
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936711
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 126936613
N-piperidin-4-yl-2-propan-2-ylpyrimidin-4-amine
CID 83838042

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936752) is 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is CC(C)c1nccc(NC2CCC(n3nc(-c4ccncc4)ccc3=O)CC2)n1.
What is the InChIKey of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is DXWNITPEOWBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15(2)22-24-14-11-20(26-22)25-17-3-5-18(6-4-17)28-21(29)8-7-19(27-28)16-9-12-23-13-10-16/h7-15,17-18H,3-6H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).