3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide

C28H25F2N5O2 — CID 171469323

IUPAC3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(n2cc3ccc(-c4ccn5ccnc5c4)cc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C28H25F2N5O2/c29-23-11-21(12-24(30)27(23)36)28(37)32-15-17-1-5-22(6-2-17)35-16-20-4-3-18(13-25(20)33-35)19-7-9-34-10-8-31-26(34)14-19/h3-4,7-14,16-17,22,36H,1-2,5-6,15H2,(H,32,37)
InChIKeyWUTMJJZQWDQKMX-UHFFFAOYSA-N
MW501.54 g/mol
LogP5.50
Rot. Bonds5

About 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide

3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide (PubChem CID 171469323) has the molecular formula C28H25F2N5O2 and a molecular weight of 501.54 g/mol. Its IUPAC name is 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
PubChem CID171469323
Molecular FormulaC28H25F2N5O2
Molecular Weight501.54 g/mol
Exact Mass501.20
IUPAC Name3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide
SMILESO=C(NCC1CCC(n2cc3ccc(-c4ccn5ccnc5c4)cc3n2)CC1)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C28H25F2N5O2/c29-23-11-21(12-24(30)27(23)36)28(37)32-15-17-1-5-22(6-2-17)35-16-20-4-3-18(13-25(20)33-35)19-7-9-34-10-8-31-26(34)14-19/h3-4,7-14,16-17,22,36H,1-2,5-6,15H2,(H,32,37)
InChIKeyWUTMJJZQWDQKMX-UHFFFAOYSA-N
XLogP5.50
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.54
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-4-hydroxy-N-[[4-(6-pyridazin-4-ylindazol-2-yl)cyclohexyl]methyl]benzamide
CID 171469091
N-[[4-[6-(4,6-dimethylpyrimidin-2-yl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469112
N-[[4-[5-(3-cyanophenyl)indazol-2-yl]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 171469162
N-[[4-[6-(difluoromethyl)indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171503854
N-[[4-[amino-[(Z)-2-amino-2-quinoxalin-6-ylethenyl]amino]cyclohexyl]methyl]-3,5-difluoro-4-hydroxybenzamide
CID 174329037
N-[[4-[6-[4-(2-azaspiro[4.5]decan-8-yl)piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767517
N-[[4-[6-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylbenzoyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyrimidin-5-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767547
[4-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]indazol-2-yl]cyclohexyl]methyl N-tert-butylcarbamate
CID 171469354
N-[[4-[6-[2-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)pyrazolo[1,5-a]pyridin-6-yl]propyl]piperazin-1-yl]pyrimidin-5-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767485
N-[[4-[6-[4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]propyl]piperazin-1-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
CID 171767820
2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[[4-[6-(4-methylpiperazin-1-yl)indazol-2-yl]cyclohexyl]methyl]benzamide
CID 171469303
tert-butyl N-[[4-[6-[4-(trifluoromethyl)pyrazol-1-yl]indazol-2-yl]cyclohexyl]methyl]carbamate
CID 171469271

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide (CID 171469323) is 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide is O=C(NCC1CCC(n2cc3ccc(-c4ccn5ccnc5c4)cc3n2)CC1)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
The InChIKey is WUTMJJZQWDQKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O2/c29-23-11-21(12-24(30)27(23)36)28(37)32-15-17-1-5-22(6-2-17)35-16-20-4-3-18(13-25(20)33-35)19-7-9-34-10-8-31-26(34)14-19/h3-4,7-14,16-17,22,36H,1-2,5-6,15H2,(H,32,37).
What are the key properties of 3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide?
3,5-difluoro-4-hydroxy-N-[[4-(6-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide has a molecular weight of 501.54 g/mol, XLogP of 5.50, 5 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-imidazo[1,2-a]pyridin-7-ylindazol-2-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 171469323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).