1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea

C56H60N8O2 — CID 162200003

IUPAC1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea
SMILESCC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2c1cnn2Cc1ccccc1.CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2nn(Cc3ccccc3)cc12
InChIInChI=1S/2C28H30N4O/c1-28(2,3)21-13-14-22-20(16-21)12-15-25(22)31-27(33)30-24-10-7-11-26-23(24)17-29-32(26)18-19-8-5-4-6-9-19;1-28(2,3)21-13-14-22-20(16-21)12-15-25(22)30-27(33)29-24-10-7-11-26-23(24)18-32(31-26)17-19-8-5-4-6-9-19/h4-11,13-14,16-17,25H,12,15,18H2,1-3H3,(H2,30,31,33);4-11,13-14,16,18,25H,12,15,17H2,1-3H3,(H2,29,30,33)/t2*25-/m11/s1
InChIKeyZRLKLAWLAXYMAS-PYZOFXEKSA-N
MW877.15 g/mol
LogP12.38
Rot. Bonds8

About 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea

1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 162200003) has the molecular formula C56H60N8O2 and a molecular weight of 877.15 g/mol. Its IUPAC name is 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID162200003
Molecular FormulaC56H60N8O2
Molecular Weight877.15 g/mol
Exact Mass876.48
IUPAC Name1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea
SMILESCC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2c1cnn2Cc1ccccc1.CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2nn(Cc3ccccc3)cc12
InChIInChI=1S/2C28H30N4O/c1-28(2,3)21-13-14-22-20(16-21)12-15-25(22)31-27(33)30-24-10-7-11-26-23(24)17-29-32(26)18-19-8-5-4-6-9-19;1-28(2,3)21-13-14-22-20(16-21)12-15-25(22)30-27(33)29-24-10-7-11-26-23(24)18-32(31-26)17-19-8-5-4-6-9-19/h4-11,13-14,16-17,25H,12,15,18H2,1-3H3,(H2,30,31,33);4-11,13-14,16,18,25H,12,15,17H2,1-3H3,(H2,29,30,33)/t2*25-/m11/s1
InChIKeyZRLKLAWLAXYMAS-PYZOFXEKSA-N
XLogP12.38
TPSA117.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.15
LogP ≤ 512.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea with MolForge

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Related Compounds

4-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]indazole-1-carboxylic acid
CID 69114850
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 11244984
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-isoquinolin-5-ylurea
CID 11485180
1-[(6E)-6-[[amino(benzyl)amino]methylidene]-5-methylidenecyclohexa-1,3-dien-1-yl]-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea
CID 88571602
1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)thiourea
CID 24777890
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
2-[4-[[8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazol-1-yl]acetic acid
CID 174581519
N-(1-benzylindazol-4-yl)-8-(1-morpholin-4-ylethyl)-4,5-dihydro-3H-1-benzazepine-3-carboxamide
CID 123261692
4-[[7-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]carbamoylamino]indazole-1-carboxylic acid
CID 151849875
1-(5-bromo-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea
CID 24777768
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
CID 167919793
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
CID 167955144

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea (CID 162200003) is 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea is CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2c1cnn2Cc1ccccc1.CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=O)Nc1cccc2nn(Cc3ccccc3)cc12.
What is the InChIKey of 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is ZRLKLAWLAXYMAS-PYZOFXEKSA-N. The full InChI is InChI=1S/2C28H30N4O/c1-28(2,3)21-13-14-22-20(16-21)12-15-25(22)31-27(33)30-24-10-7-11-26-23(24)17-29-32(26)18-19-8-5-4-6-9-19;1-28(2,3)21-13-14-22-20(16-21)12-15-25(22)30-27(33)29-24-10-7-11-26-23(24)18-32(31-26)17-19-8-5-4-6-9-19/h4-11,13-14,16-17,25H,12,15,18H2,1-3H3,(H2,30,31,33);4-11,13-14,16,18,25H,12,15,17H2,1-3H3,(H2,29,30,33)/t2*25-/m11/s1.
What are the key properties of 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea?
1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 877.15 g/mol, XLogP of 12.38, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea;1-(2-benzylindazol-4-yl)-3-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 162200003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).