N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide

C28H31F2N5O2 — CID 171469287

IUPACN-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
SMILESCC(C)(C)n1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1
InChIInChI=1S/C28H31F2N5O2/c1-28(2,3)35-16-21(14-32-35)18-6-7-19-15-34(33-25(19)12-18)22-8-4-17(5-9-22)13-31-27(37)20-10-23(29)26(36)24(30)11-20/h6-7,10-12,14-17,22,36H,4-5,8-9,13H2,1-3H3,(H,31,37)
InChIKeyVWGMFUQAQVAWKV-UHFFFAOYSA-N
MW507.59 g/mol
LogP5.80
Rot. Bonds5

About N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide

N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide (PubChem CID 171469287) has the molecular formula C28H31F2N5O2 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
PubChem CID171469287
Molecular FormulaC28H31F2N5O2
Molecular Weight507.59 g/mol
Exact Mass507.24
IUPAC NameN-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
SMILESCC(C)(C)n1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1
InChIInChI=1S/C28H31F2N5O2/c1-28(2,3)35-16-21(14-32-35)18-6-7-19-15-34(33-25(19)12-18)22-8-4-17(5-9-22)13-31-27(37)20-10-23(29)26(36)24(30)11-20/h6-7,10-12,14-17,22,36H,4-5,8-9,13H2,1-3H3,(H,31,37)
InChIKeyVWGMFUQAQVAWKV-UHFFFAOYSA-N
XLogP5.80
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide with MolForge

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Related Compounds

US20240150334, Example 43
CID 171469092
US20240150334, Example 56
CID 171469118
Hsd17B13-IN-103
CID 171469320
US20240150334, Example 48
CID 171469374
US20240150334, Example 49
CID 171503794
US12473304, Example 94
CID 156828817
US20240150334, Example 10
CID 171469076
US20240150334, Example 63
CID 171469079
US20240150334, Example 97
CID 171469080
US20240150334, Example 81
CID 171469086
US20240150334, Example 106
CID 171469087
US20240150334, Example 24
CID 171469089

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The IUPAC name of N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide (CID 171469287) is N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The canonical SMILES for N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide is CC(C)(C)n1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)cn1.
What is the InChIKey of N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
The InChIKey is VWGMFUQAQVAWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F2N5O2/c1-28(2,3)35-16-21(14-32-35)18-6-7-19-15-34(33-25(19)12-18)22-8-4-17(5-9-22)13-31-27(37)20-10-23(29)26(36)24(30)11-20/h6-7,10-12,14-17,22,36H,4-5,8-9,13H2,1-3H3,(H,31,37).
What are the key properties of N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide?
N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide has a molecular weight of 507.59 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(1-tert-butylpyrazol-4-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide is sourced from PubChem (CID 171469287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).