1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea

C23H22N8O2 — CID 66585720

IUPAC1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2nc(N3CCOCC3)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C23H22N8O2/c32-23(25-18-5-2-1-3-6-18)26-19-9-7-17(8-10-19)20-27-21(30-13-15-33-16-14-30)29-22(28-20)31-12-4-11-24-31/h1-12H,13-16H2,(H2,25,26,32)
InChIKeyJYLMWVRHOPVKDO-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.20
Rot. Bonds5

About 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea

1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea (PubChem CID 66585720) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
PubChem CID66585720
Molecular FormulaC23H22N8O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC Name1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-c2nc(N3CCOCC3)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C23H22N8O2/c32-23(25-18-5-2-1-3-6-18)26-19-9-7-17(8-10-19)20-27-21(30-13-15-33-16-14-30)29-22(28-20)31-12-4-11-24-31/h1-12H,13-16H2,(H2,25,26,32)
InChIKeyJYLMWVRHOPVKDO-UHFFFAOYSA-N
XLogP3.20
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea with MolForge

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Related Compounds

4-[[4-[4-(3-methylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 66585722
3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(2-pyridin-2-ylacetyl)phenyl]urea
CID 44516955
1-[4-(4-butyl-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 141367165
1-[4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 141367192
4-[[4-[4-[4-(methylcarbamoylamino)phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 66585526
1-(4-fluorophenyl)-3-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 66585746
1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea
CID 67439593
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
CID 66585891
1-[4-[4-morpholin-4-yl-6-(3-oxopropyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 87059834
1-[4-[4-morpholin-4-yl-6-(4-propan-2-yl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 66585783

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea (CID 66585720) is 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-c2nc(N3CCOCC3)nc(-n3cccn3)n2)cc1.
What is the InChIKey of 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
The InChIKey is JYLMWVRHOPVKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O2/c32-23(25-18-5-2-1-3-6-18)26-19-9-7-17(8-10-19)20-27-21(30-13-15-33-16-14-30)29-22(28-20)31-12-4-11-24-31/h1-12H,13-16H2,(H2,25,26,32).
What are the key properties of 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea?
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea has a molecular weight of 442.48 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 66585720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).