1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea

C17H24N6O2 — CID 146128859

IUPAC1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCc1nc(N2CCOCC2)ccc1NC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H24N6O2/c1-13-15(4-5-16(19-13)23-6-8-25-9-7-23)20-17(24)21(2)11-14-10-18-22(3)12-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyHNTGHHVCEDNENH-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.62
Rot. Bonds4

About 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea

1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 146128859) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID146128859
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCc1nc(N2CCOCC2)ccc1NC(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C17H24N6O2/c1-13-15(4-5-16(19-13)23-6-8-25-9-7-23)20-17(24)21(2)11-14-10-18-22(3)12-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,24)
InChIKeyHNTGHHVCEDNENH-UHFFFAOYSA-N
XLogP1.62
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-methyl-3-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)urea
CID 99790202
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 97157164
4-[[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]methyl]benzoic acid
CID 122032550
3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 86912681
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99636315
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
CID 128977896
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 49120184
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893267
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 47041053

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 146128859) is 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea is Cc1nc(N2CCOCC2)ccc1NC(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is HNTGHHVCEDNENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-13-15(4-5-16(19-13)23-6-8-25-9-7-23)20-17(24)21(2)11-14-10-18-22(3)12-14/h4-5,10,12H,6-9,11H2,1-3H3,(H,20,24).
What are the key properties of 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 344.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-6-morpholin-4-yl-3-pyridinyl)-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 146128859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).