1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea

C18H22N8O — CID 150254433

IUPAC1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C18H22N8O/c1-11(2)26-10-19-23-17(26)13-5-4-6-15(20-13)21-18(27)22-16-9-14(12-7-8-12)24-25(16)3/h4-6,9-12H,7-8H2,1-3H3,(H2,20,21,22,27)
InChIKeyGAGJIJAVUXXZMW-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.18
Rot. Bonds5

About 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea

1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (PubChem CID 150254433) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
PubChem CID150254433
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C18H22N8O/c1-11(2)26-10-19-23-17(26)13-5-4-6-15(20-13)21-18(27)22-16-9-14(12-7-8-12)24-25(16)3/h4-6,9-12H,7-8H2,1-3H3,(H2,20,21,22,27)
InChIKeyGAGJIJAVUXXZMW-UHFFFAOYSA-N
XLogP3.18
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The IUPAC name of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea (CID 150254433) is 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C3CC3)nn2C)n1.
What is the InChIKey of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
The InChIKey is GAGJIJAVUXXZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-11(2)26-10-19-23-17(26)13-5-4-6-15(20-13)21-18(27)22-16-9-14(12-7-8-12)24-25(16)3/h4-6,9-12H,7-8H2,1-3H3,(H2,20,21,22,27).
What are the key properties of 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea?
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea has a molecular weight of 366.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1-methylpyrazol-5-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea is sourced from PubChem (CID 150254433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).