1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea

C26H25N7O2 — CID 6417667

IUPAC1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)Nc1ccccc1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H25N7O2/c34-26(30-24-12-11-21(31-32-24)19-6-2-1-3-7-19)29-23-9-5-4-8-22(23)28-20-10-13-25(27-18-20)33-14-16-35-17-15-33/h1-13,18,28H,14-17H2,(H2,29,30,32,34)
InChIKeyXCCCZLQTZQQLTF-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.76
Rot. Bonds6

About 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea

1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea (PubChem CID 6417667) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
PubChem CID6417667
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea
SMILESO=C(Nc1ccc(-c2ccccc2)nn1)Nc1ccccc1Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H25N7O2/c34-26(30-24-12-11-21(31-32-24)19-6-2-1-3-7-19)29-23-9-5-4-8-22(23)28-20-10-13-25(27-18-20)33-14-16-35-17-15-33/h1-13,18,28H,14-17H2,(H2,29,30,32,34)
InChIKeyXCCCZLQTZQQLTF-UHFFFAOYSA-N
XLogP4.76
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
1-(2-chlorophenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991973
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43992816
1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43991972
2-(carbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 43044639
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylbutanamide
CID 42940174
2-(2-methoxyphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992796
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 7593356
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
The IUPAC name of 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea (CID 6417667) is 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea.
What is the SMILES notation for 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
The canonical SMILES for 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea is O=C(Nc1ccc(-c2ccccc2)nn1)Nc1ccccc1Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
The InChIKey is XCCCZLQTZQQLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c34-26(30-24-12-11-21(31-32-24)19-6-2-1-3-7-19)29-23-9-5-4-8-22(23)28-20-10-13-25(27-18-20)33-14-16-35-17-15-33/h1-13,18,28H,14-17H2,(H2,29,30,32,34).
What are the key properties of 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea?
1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea has a molecular weight of 467.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]phenyl]-3-(6-phenylpyridazin-3-yl)urea is sourced from PubChem (CID 6417667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).