1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

C20H26N4O2 — CID 55923777

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCn1ncc2c1CCCC2NC(=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C20H26N4O2/c1-24-19-7-3-6-18(17(19)13-22-24)23-20(25)21-10-11-26-16-9-8-14-4-2-5-15(14)12-16/h8-9,12-13,18H,2-7,10-11H2,1H3,(H2,21,23,25)
InChIKeyAMVAGSJYDOVRAA-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.66
Rot. Bonds5

About 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea

1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (PubChem CID 55923777) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
PubChem CID55923777
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
SMILESCn1ncc2c1CCCC2NC(=O)NCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C20H26N4O2/c1-24-19-7-3-6-18(17(19)13-22-24)23-20(25)21-10-11-26-16-9-8-14-4-2-5-15(14)12-16/h8-9,12-13,18H,2-7,10-11H2,1H3,(H2,21,23,25)
InChIKeyAMVAGSJYDOVRAA-UHFFFAOYSA-N
XLogP2.66
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.66
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

1-[2-(2-methylphenoxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 51089236
7-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 94804289
1-[(4-methoxyphenyl)methyl]-3-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 38884548
N'-(2,3-dihydro-1H-inden-5-yl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxamide
CID 56795741
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55738803
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
3-hydroxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95159871
1-[(4-hydroxyoxan-4-yl)methyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 136523674
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
6-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-indole-2-carboxamide
CID 94442462
1-(5-methyl-1,2-oxazol-3-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 47026059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea (CID 55923777) is 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is Cn1ncc2c1CCCC2NC(=O)NCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
The InChIKey is AMVAGSJYDOVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-24-19-7-3-6-18(17(19)13-22-24)23-20(25)21-10-11-26-16-9-8-14-4-2-5-15(14)12-16/h8-9,12-13,18H,2-7,10-11H2,1H3,(H2,21,23,25).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea?
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea has a molecular weight of 354.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea is sourced from PubChem (CID 55923777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).