3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea

C18H26N4O2 — CID 177155731

IUPAC3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
SMILESCCC(CC)c1ccc2c(N(CCC=O)C(=O)NC)nn(C)c2c1
InChIInChI=1S/C18H26N4O2/c1-5-13(6-2)14-8-9-15-16(12-14)21(4)20-17(15)22(10-7-11-23)18(24)19-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,24)
InChIKeyUDEMIGUIEWFYMD-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.21
Rot. Bonds7

About 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea

3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea (PubChem CID 177155731) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
PubChem CID177155731
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
SMILESCCC(CC)c1ccc2c(N(CCC=O)C(=O)NC)nn(C)c2c1
InChIInChI=1S/C18H26N4O2/c1-5-13(6-2)14-8-9-15-16(12-14)21(4)20-17(15)22(10-7-11-23)18(24)19-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,24)
InChIKeyUDEMIGUIEWFYMD-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Methylindazol-3-yl)-1,3-diazinane-2,4-dione
CID 153623240
1-(7-Amino-1-methyl-1H-indazol-3-yl)dihydropyrimidine-2,4(1H,3H)-dione
CID 162529700
1-(6-amino-1-methyl-1H-indazol-3-yl)-1,3-diazinane-2,4-dione
CID 169265560
N-(2,3-Dimethylphenyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-4-carboxamide
CID 16024356
N-{1-methyl-4-[4-(3-methylphenylureido)phenyl]-1H-indazol-3-yl}acetamide
CID 16125513
N-(2,5-dimethylpyrazol-3-yl)-3-(3-methylindazol-1-yl)propanamide
CID 52422727
N-(2-ethyl-5-methylpyrazol-3-yl)-3-(3-methylindazol-1-yl)propanamide
CID 52422728
3-(3-methylindazol-1-yl)-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)propanamide
CID 52427548
N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]-2-methylpropanamide
CID 172434821
N-(1-methylindazol-3-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 2809597
4-{2-Methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}-N-(2-phenylpropyl)butanamide
CID 20928949
N-[(4-Ethylphenyl)methyl]-4-{2-methyl-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL}butanamide
CID 20928990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
The IUPAC name of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea (CID 177155731) is 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea.
What is the SMILES notation for 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
The canonical SMILES for 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea is CCC(CC)c1ccc2c(N(CCC=O)C(=O)NC)nn(C)c2c1.
What is the InChIKey of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
The InChIKey is UDEMIGUIEWFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-13(6-2)14-8-9-15-16(12-14)21(4)20-17(15)22(10-7-11-23)18(24)19-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,24).
What are the key properties of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea is sourced from PubChem (CID 177155731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).