1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C25H25N5O3 — CID 55743504

IUPAC1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cn1
InChIInChI=1S/C25H25N5O3/c1-18-4-10-22(23(14-18)32-2)33-24-11-9-21(16-26-24)29-25(31)27-15-19-5-7-20(8-6-19)17-30-13-3-12-28-30/h3-14,16H,15,17H2,1-2H3,(H2,27,29,31)
InChIKeyLLZJCEZCMLHWQN-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.76
Rot. Bonds8

About 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 55743504) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID55743504
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cn1
InChIInChI=1S/C25H25N5O3/c1-18-4-10-22(23(14-18)32-2)33-24-11-9-21(16-26-24)29-25(31)27-15-19-5-7-20(8-6-19)17-30-13-3-12-28-30/h3-14,16H,15,17H2,1-2H3,(H2,27,29,31)
InChIKeyLLZJCEZCMLHWQN-UHFFFAOYSA-N
XLogP4.76
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 55743312
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 86994420
1-(6-methoxy-3-pyridinyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51324812
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
1-(4-propylphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 112824919
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
1-(2-phenoxyphenyl)-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55695482
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 55965315
N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25404296
ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55677621

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 55743504) is 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is COc1cc(C)ccc1Oc1ccc(NC(=O)NCc2ccc(Cn3cccn3)cc2)cn1.
What is the InChIKey of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is LLZJCEZCMLHWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-18-4-10-22(23(14-18)32-2)33-24-11-9-21(16-26-24)29-25(31)27-15-19-5-7-20(8-6-19)17-30-13-3-12-28-30/h3-14,16H,15,17H2,1-2H3,(H2,27,29,31).
What are the key properties of 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 443.51 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55743504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).