1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol

C24H28F3N5O2 — CID 86566360

IUPAC1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3C2CCOCC2)CC1
InChIInChI=1S/C24H28F3N5O2/c1-24(33)6-2-15(3-7-24)29-21-12-20-19(13-28-21)30-23(32(20)16-4-8-34-9-5-16)31-22-17(26)10-14(25)11-18(22)27/h10-13,15-16,33H,2-9H2,1H3,(H,28,29)(H,30,31)
InChIKeyNUZFPXGMVYSXCR-UHFFFAOYSA-N
MW475.52 g/mol
LogP5.05
Rot. Bonds5

About 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol

1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol (PubChem CID 86566360) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
PubChem CID86566360
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC Name1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESCC1(O)CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3C2CCOCC2)CC1
InChIInChI=1S/C24H28F3N5O2/c1-24(33)6-2-15(3-7-24)29-21-12-20-19(13-28-21)30-23(32(20)16-4-8-34-9-5-16)31-22-17(26)10-14(25)11-18(22)27/h10-13,15-16,33H,2-9H2,1H3,(H,28,29)(H,30,31)
InChIKeyNUZFPXGMVYSXCR-UHFFFAOYSA-N
XLogP5.05
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.52
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
CID 141369469
ethyl 1-methyl-4-[2-(oxan-4-ylamino)-8-(2,4,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxylate
CID 126569389
4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol;sulfane
CID 160960885
N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide
CID 86566562
1-deuterio-4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 53244734
4-[[3-[(3S)-oxolan-3-yl]-2-(2,4,6-trifluoroanilino)benzimidazol-5-yl]amino]cyclohexan-1-ol
CID 122537382
methane;2-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]propan-2-ol
CID 157087166
ethane;9-(oxan-4-yl)-2-N-phenyl-8-N-(2,4,6-trifluorophenyl)purine-2,8-diamine
CID 168982679
4-[2-(oxepan-4-ylamino)-8-(2,4,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 121253376
N-[4-[[9-(oxolan-3-yl)-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 76572958
2,5-dideuterio-4-[[9-(oxolan-3-yl)-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 89403701
morpholin-4-yl-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]methanone
CID 70331048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol (CID 86566360) is 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol is CC1(O)CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3C2CCOCC2)CC1.
What is the InChIKey of 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is NUZFPXGMVYSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-24(33)6-2-15(3-7-24)29-21-12-20-19(13-28-21)30-23(32(20)16-4-8-34-9-5-16)31-22-17(26)10-14(25)11-18(22)27/h10-13,15-16,33H,2-9H2,1H3,(H,28,29)(H,30,31).
What are the key properties of 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 475.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[1-(oxan-4-yl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 86566360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).