3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide

C27H26F2N4O3 — CID 171469087

IUPAC3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCOc1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)ccn1
InChIInChI=1S/C27H26F2N4O3/c1-36-25-13-18(8-9-30-25)17-4-5-19-15-33(32-24(19)12-17)21-6-2-16(3-7-21)14-31-27(35)20-10-22(28)26(34)23(29)11-20/h4-5,8-13,15-16,21,34H,2-3,6-7,14H2,1H3,(H,31,35)
InChIKeyDYUSUCLNPUABSF-UHFFFAOYSA-N
MW492.53 g/mol
LogP5.25
Rot. Bonds6

About 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide

3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide (PubChem CID 171469087) has the molecular formula C27H26F2N4O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide
PubChem CID171469087
Molecular FormulaC27H26F2N4O3
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide
SMILESCOc1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)ccn1
InChIInChI=1S/C27H26F2N4O3/c1-36-25-13-18(8-9-30-25)17-4-5-19-15-33(32-24(19)12-17)21-6-2-16(3-7-21)14-31-27(35)20-10-22(28)26(34)23(29)11-20/h4-5,8-13,15-16,21,34H,2-3,6-7,14H2,1H3,(H,31,35)
InChIKeyDYUSUCLNPUABSF-UHFFFAOYSA-N
XLogP5.25
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
3-[(1-Ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid
CID 141736367
N-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394244
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-methoxybenzamide
CID 72704105
2-fluoro-4-(3-fluoro-4-methoxyphenyl)-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705079
2,5-dimethyl-N-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188591
2,5-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188593
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188595
2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188598
5-ethyl-2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188599
2-methyl-5-propan-2-yl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188600

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide (CID 171469087) is 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide is COc1cc(-c2ccc3cn(C4CCC(CNC(=O)c5cc(F)c(O)c(F)c5)CC4)nc3c2)ccn1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
The InChIKey is DYUSUCLNPUABSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O3/c1-36-25-13-18(8-9-30-25)17-4-5-19-15-33(32-24(19)12-17)21-6-2-16(3-7-21)14-31-27(35)20-10-22(28)26(34)23(29)11-20/h4-5,8-13,15-16,21,34H,2-3,6-7,14H2,1H3,(H,31,35).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide has a molecular weight of 492.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-hydroxy-N-[[4-[6-(2-methoxy-4-pyridinyl)indazol-2-yl]cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).