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

C24H29N5O4 — CID 90614405

IUPAC1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc(OC)c1OC
InChIInChI=1S/C24H29N5O4/c1-31-20-14-17(15-21(32-2)23(20)33-3)27-24(30)26-12-13-29-19-7-5-4-6-18(19)22(28-29)16-8-10-25-11-9-16/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,26,27,30)
InChIKeyKSQAWKCSKOLYCC-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.67
Rot. Bonds8

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

1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 90614405) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID90614405
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc(OC)c1OC
InChIInChI=1S/C24H29N5O4/c1-31-20-14-17(15-21(32-2)23(20)33-3)27-24(30)26-12-13-29-19-7-5-4-6-18(19)22(28-29)16-8-10-25-11-9-16/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,26,27,30)
InChIKeyKSQAWKCSKOLYCC-UHFFFAOYSA-N
XLogP3.67
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

3-(4-methoxyphenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90614163
2-(4-fluorophenoxy)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]acetamide
CID 90614149
1-[2-(4-cyclopropyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121078008
1-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121169890
1-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90542078
1-(2-methylphenyl)-3-[2-(3-pyridin-2-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]urea
CID 90614701
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 89176278
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866
1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
2-methyl-5-nitro-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90614333
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 90614405) is 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCCn2nc(-c3ccncc3)c3c2CCCC3)cc(OC)c1OC.
What is the InChIKey of 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is KSQAWKCSKOLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-31-20-14-17(15-21(32-2)23(20)33-3)27-24(30)26-12-13-29-19-7-5-4-6-18(19)22(28-29)16-8-10-25-11-9-16/h8-11,14-15H,4-7,12-13H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 451.53 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 90614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).