tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate

C23H28F3N5O2 — CID 171469271

IUPACtert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(n2cc3ccc(-n4cc(C(F)(F)F)cn4)cc3n2)CC1
InChIInChI=1S/C23H28F3N5O2/c1-22(2,3)33-21(32)27-11-15-4-7-18(8-5-15)31-13-16-6-9-19(10-20(16)29-31)30-14-17(12-28-30)23(24,25)26/h6,9-10,12-15,18H,4-5,7-8,11H2,1-3H3,(H,27,32)
InChIKeyCWYZBBJZDSTSMS-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.50
Rot. Bonds4

About tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate (PubChem CID 171469271) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate
PubChem CID171469271
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Nametert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(n2cc3ccc(-n4cc(C(F)(F)F)cn4)cc3n2)CC1
InChIInChI=1S/C23H28F3N5O2/c1-22(2,3)33-21(32)27-11-15-4-7-18(8-5-15)31-13-16-6-9-19(10-20(16)29-31)30-14-17(12-28-30)23(24,25)26/h6,9-10,12-15,18H,4-5,7-8,11H2,1-3H3,(H,27,32)
InChIKeyCWYZBBJZDSTSMS-UHFFFAOYSA-N
XLogP5.50
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[6-(4,6-dimethylpyrimidin-2-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469112
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate
CID 171469354
tert-butyl N-[[4-methyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-yl]methyl]carbamate
CID 168965853
tert-butyl N-[[1-[6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate
CID 145433487
N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171503854
[4-[5-(trifluoromethyl)indazol-2-yl]cyclohexyl]methanamine
CID 171469169
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[[1-[(3-carbamoylphenyl)methyl]-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-6-yl]methyl]carbamate
CID 169043710
3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469323
2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid
CID 155437894
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate (CID 171469271) is tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(n2cc3ccc(-n4cc(C(F)(F)F)cn4)cc3n2)CC1.
What is the InChIKey of tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate?
The InChIKey is CWYZBBJZDSTSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-22(2,3)33-21(32)27-11-15-4-7-18(8-5-15)31-13-16-6-9-19(10-20(16)29-31)30-14-17(12-28-30)23(24,25)26/h6,9-10,12-15,18H,4-5,7-8,11H2,1-3H3,(H,27,32).
What are the key properties of tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate has a molecular weight of 463.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 171469271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).