[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate

C31H32N4O3 — CID 175203924

IUPAC[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate
SMILESNC(=O)OC1(C(Cc2ccc3c(cnn3C3CCCCO3)c2)N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H32N4O3/c32-30(36)38-31(16-17-31)27(34-29(23-9-3-1-4-10-23)24-11-5-2-6-12-24)20-22-14-15-26-25(19-22)21-33-35(26)28-13-7-8-18-37-28/h1-6,9-12,14-15,19,21,27-28H,7-8,13,16-18,20H2,(H2,32,36)
InChIKeyJWJQZBUOGPTPDH-UHFFFAOYSA-N
MW508.62 g/mol
LogP5.81
Rot. Bonds8

About [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate

[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate (PubChem CID 175203924) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate.

Molecular Properties

Compound Name[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate
PubChem CID175203924
Molecular FormulaC31H32N4O3
Molecular Weight508.62 g/mol
Exact Mass508.25
IUPAC Name[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate
SMILESNC(=O)OC1(C(Cc2ccc3c(cnn3C3CCCCO3)c2)N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C31H32N4O3/c32-30(36)38-31(16-17-31)27(34-29(23-9-3-1-4-10-23)24-11-5-2-6-12-24)20-22-14-15-26-25(19-22)21-33-35(26)28-13-7-8-18-37-28/h1-6,9-12,14-15,19,21,27-28H,7-8,13,16-18,20H2,(H2,32,36)
InChIKeyJWJQZBUOGPTPDH-UHFFFAOYSA-N
XLogP5.81
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-benzyl-1-(oxan-2-yl)indazole
CID 156734105
2-[4-[(E)-3-methyl-1-[1-(oxan-2-yl)indazol-5-yl]-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 145199877
benzyl N-[3-hydroxy-3-[1-(oxan-2-yl)indazol-5-yl]propyl]carbamate
CID 175406283
1-(oxan-2-yl)-5-(oxetan-3-ylmethyl)indazole
CID 178036760
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
1-[(2S)-oxan-2-yl]indazole
CID 124562379
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
5-(1-methylcyclopropyl)oxy-1-(oxan-2-yl)indazole
CID 165137431
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
5-(1,3-dibenzylpyrrolidin-3-yl)-1-(oxan-2-yl)indazole
CID 66866271
5-[(E)-2-cyclobutyl-2-phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1-(oxan-2-yl)indazole
CID 140874193

Frequently Asked Questions

What is the IUPAC name of [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate?
The IUPAC name of [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate (CID 175203924) is [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate.
What is the SMILES notation for [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate?
The canonical SMILES for [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate is NC(=O)OC1(C(Cc2ccc3c(cnn3C3CCCCO3)c2)N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate?
The InChIKey is JWJQZBUOGPTPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c32-30(36)38-31(16-17-31)27(34-29(23-9-3-1-4-10-23)24-11-5-2-6-12-24)20-22-14-15-26-25(19-22)21-33-35(26)28-13-7-8-18-37-28/h1-6,9-12,14-15,19,21,27-28H,7-8,13,16-18,20H2,(H2,32,36).
What are the key properties of [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate?
[1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate has a molecular weight of 508.62 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(benzhydrylideneamino)-2-[1-(oxan-2-yl)indazol-5-yl]ethyl]cyclopropyl] carbamate is sourced from PubChem (CID 175203924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).