3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea

C20H24N4O3 — CID 118767643

IUPAC3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea
SMILESCOCCCN(Cc1ccccc1OC)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C20H24N4O3/c1-26-12-6-11-24(14-15-7-3-4-10-19(15)27-2)20(25)22-17-8-5-9-18-16(17)13-21-23-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyHVYGXOAGSLALKU-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.64
Rot. Bonds8

About 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea

3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea (PubChem CID 118767643) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea.

Molecular Properties

Compound Name3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea
PubChem CID118767643
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea
SMILESCOCCCN(Cc1ccccc1OC)C(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C20H24N4O3/c1-26-12-6-11-24(14-15-7-3-4-10-19(15)27-2)20(25)22-17-8-5-9-18-16(17)13-21-23-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyHVYGXOAGSLALKU-UHFFFAOYSA-N
XLogP3.64
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1H-indazol-4-yl)-4-methoxybutanamide
CID 55080535
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
2-[2-[[2-hydroxyethyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 55819269
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
CID 66418442
2-[(2-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3422444
3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
CID 110481555
N-(1H-indazol-4-yl)propanamide
CID 61035756
2-(2-aminophenyl)-N-(1H-indazol-4-yl)acetamide
CID 61117193
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
1-(1H-indazol-4-yl)-3-(2-methoxy-5-methylsulfonylphenyl)thiourea
CID 86665448
N-(1H-indazol-4-yl)pentanamide
CID 110479421
3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
CID 130664762

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea?
The IUPAC name of 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea (CID 118767643) is 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea.
What is the SMILES notation for 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea?
The canonical SMILES for 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea is COCCCN(Cc1ccccc1OC)C(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea?
The InChIKey is HVYGXOAGSLALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-26-12-6-11-24(14-15-7-3-4-10-19(15)27-2)20(25)22-17-8-5-9-18-16(17)13-21-23-18/h3-5,7-10,13H,6,11-12,14H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea?
3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea has a molecular weight of 368.44 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-4-yl)-1-[(2-methoxyphenyl)methyl]-1-(3-methoxypropyl)urea is sourced from PubChem (CID 118767643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).