1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea

C22H25N5O — CID 90614701

IUPAC1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C22H25N5O/c1-16-8-2-4-10-18(16)25-22(28)24-14-15-27-20-12-5-3-9-17(20)21(26-27)19-11-6-7-13-23-19/h2,4,6-8,10-11,13H,3,5,9,12,14-15H2,1H3,(H2,24,25,28)
InChIKeySDKCNAMYCYLVAC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.95
Rot. Bonds5

About 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea

1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea (PubChem CID 90614701) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
PubChem CID90614701
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2
InChIInChI=1S/C22H25N5O/c1-16-8-2-4-10-18(16)25-22(28)24-14-15-27-20-12-5-3-9-17(20)21(26-27)19-11-6-7-13-23-19/h2,4,6-8,10-11,13H,3,5,9,12,14-15H2,1H3,(H2,24,25,28)
InChIKeySDKCNAMYCYLVAC-UHFFFAOYSA-N
XLogP3.95
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614593
4-phenyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90614473
2-(4-tert-butylphenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614552
N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-9H-xanthene-9-carboxamide
CID 90614568
3-nitro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614485
2,4-difluoro-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90614470
1-bromo-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614605
2-(2,4-dichlorophenoxy)-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614565
methyl 4-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethylsulfamoyl]benzoate
CID 72718545
4-ethyl-N-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614611
1-(2-methylphenyl)-3-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]urea
CID 122280845
1-(2-chlorophenyl)-3-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]urea
CID 121078301

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea (CID 90614701) is 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea is Cc1ccccc1NC(=O)NCCn1nc(-c2ccccn2)c2c1CCCC2.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea?
The InChIKey is SDKCNAMYCYLVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-8-2-4-10-18(16)25-22(28)24-14-15-27-20-12-5-3-9-17(20)21(26-27)19-11-6-7-13-23-19/h2,4,6-8,10-11,13H,3,5,9,12,14-15H2,1H3,(H2,24,25,28).
What are the key properties of 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea?
1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea has a molecular weight of 375.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea is sourced from PubChem (CID 90614701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).