[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate

C24H31F2N5O2 — CID 171469354

IUPAC[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1CCC(n2cc3ccc(-c4cnn(CC(F)F)c4)cc3n2)CC1
InChIInChI=1S/C24H31F2N5O2/c1-24(2,3)28-23(32)33-15-16-4-8-20(9-5-16)31-13-18-7-6-17(10-21(18)29-31)19-11-27-30(12-19)14-22(25)26/h6-7,10-13,16,20,22H,4-5,8-9,14-15H2,1-3H3,(H,28,32)
InChIKeyRSCAWOCVTGSIMR-UHFFFAOYSA-N
MW459.54 g/mol
LogP5.42
Rot. Bonds6

About [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate

[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate (PubChem CID 171469354) has the molecular formula C24H31F2N5O2 and a molecular weight of 459.54 g/mol. Its IUPAC name is [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate
PubChem CID171469354
Molecular FormulaC24H31F2N5O2
Molecular Weight459.54 g/mol
Exact Mass459.24
IUPAC Name[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC1CCC(n2cc3ccc(-c4cnn(CC(F)F)c4)cc3n2)CC1
InChIInChI=1S/C24H31F2N5O2/c1-24(2,3)28-23(32)33-15-16-4-8-20(9-5-16)31-13-18-7-6-17(10-21(18)29-31)19-11-27-30(12-19)14-22(25)26/h6-7,10-13,16,20,22H,4-5,8-9,14-15H2,1-3H3,(H,28,32)
InChIKeyRSCAWOCVTGSIMR-UHFFFAOYSA-N
XLogP5.42
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.54
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[6-(1-ethylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171767737
3,5-difluoro-4-hydroxy-N-[[4-(6-pyridazin-4-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469091
tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate
CID 171469271
N-[[4-[6-(4,6-dimethylpyrimidin-2-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469112
methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
CID 155437767
[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]methyl N-methylcarbamate
CID 170227743
[4-[5-(1-methylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methanamine
CID 171469316
3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469323
N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171503854
6-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxylic acid
CID 172868753
N-tert-butyl-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]propanamide
CID 86791911
2-[4-(6-bromoindazol-2-yl)cyclohexyl]acetic acid
CID 155437894

Frequently Asked Questions

What is the IUPAC name of [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate?
The IUPAC name of [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate (CID 171469354) is [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate.
What is the SMILES notation for [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate?
The canonical SMILES for [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC1CCC(n2cc3ccc(-c4cnn(CC(F)F)c4)cc3n2)CC1.
What is the InChIKey of [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate?
The InChIKey is RSCAWOCVTGSIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N5O2/c1-24(2,3)28-23(32)33-15-16-4-8-20(9-5-16)31-13-18-7-6-17(10-21(18)29-31)19-11-27-30(12-19)14-22(25)26/h6-7,10-13,16,20,22H,4-5,8-9,14-15H2,1-3H3,(H,28,32).
What are the key properties of [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate?
[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate has a molecular weight of 459.54 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate is sourced from PubChem (CID 171469354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).