tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate

C26H33N3O3 — CID 126583534

IUPACtert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc2c(Cc3ccccc3)nn(CCCO)c2c1)C1CC1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)28(21-11-12-21)18-20-10-13-22-23(16-19-8-5-4-6-9-19)27-29(14-7-15-30)24(22)17-20/h4-6,8-10,13,17,21,30H,7,11-12,14-16,18H2,1-3H3
InChIKeyYMURSVXXRAUDMX-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.91
Rot. Bonds8

About tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate

tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate (PubChem CID 126583534) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate
PubChem CID126583534
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Nametert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc2c(Cc3ccccc3)nn(CCCO)c2c1)C1CC1
InChIInChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)28(21-11-12-21)18-20-10-13-22-23(16-19-8-5-4-6-9-19)27-29(14-7-15-30)24(22)17-20/h4-6,8-10,13,17,21,30H,7,11-12,14-16,18H2,1-3H3
InChIKeyYMURSVXXRAUDMX-UHFFFAOYSA-N
XLogP4.91
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-6-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]indol-1-yl]ethylcarbamic acid
CID 141222095
methyl N-[2-[3-chloro-6-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]indol-1-yl]ethyl]-N-methylcarbamate
CID 59494910
tert-butyl N-[[4-benzyl-1-(3-methoxypropyl)indol-3-yl]methyl]-N-cyclopropylcarbamate
CID 59494459
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
CID 54456558
tert-butyl N-[[1-(benzenesulfonyl)-3-ethyl-2-iodoindol-6-yl]methyl]-N-(oxan-4-yl)carbamate
CID 130353092
tert-butyl N-cyclopropyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 138985274
tert-butyl N-benzyl-N-(3-ethylcyclobutyl)carbamate
CID 163452966
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-(4-methyl-2-oxo-7-phenylmethoxyquinolin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 59397890
2-[4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164572066
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
cyclopropyl N-[[1-(3-methoxypropyl)-3-(2-phenylethyl)indazol-6-yl]methyl]carbamate
CID 141222106

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate (CID 126583534) is tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(Cc1ccc2c(Cc3ccccc3)nn(CCCO)c2c1)C1CC1.
What is the InChIKey of tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate?
The InChIKey is YMURSVXXRAUDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-26(2,3)32-25(31)28(21-11-12-21)18-20-10-13-22-23(16-19-8-5-4-6-9-19)27-29(14-7-15-30)24(22)17-20/h4-6,8-10,13,17,21,30H,7,11-12,14-16,18H2,1-3H3.
What are the key properties of tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate?
tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate has a molecular weight of 435.57 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-benzyl-1-(3-hydroxypropyl)indazol-6-yl]methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 126583534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).