N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide

C25H29F3N6O2 — CID 86566562

IUPACN-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3CC2CCOC2)CC1
InChIInChI=1S/C25H29F3N6O2/c1-29-24(35)15-2-4-17(5-3-15)31-22-10-21-20(11-30-22)32-25(34(21)12-14-6-7-36-13-14)33-23-18(27)8-16(26)9-19(23)28/h8-11,14-15,17H,2-7,12-13H2,1H3,(H,29,35)(H,30,31)(H,32,33)
InChIKeyCWQAGEWVEGOOJC-UHFFFAOYSA-N
MW502.54 g/mol
LogP4.35
Rot. Bonds7

About N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide

N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide (PubChem CID 86566562) has the molecular formula C25H29F3N6O2 and a molecular weight of 502.54 g/mol. Its IUPAC name is N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide
PubChem CID86566562
Molecular FormulaC25H29F3N6O2
Molecular Weight502.54 g/mol
Exact Mass502.23
IUPAC NameN-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3CC2CCOC2)CC1
InChIInChI=1S/C25H29F3N6O2/c1-29-24(35)15-2-4-17(5-3-15)31-22-10-21-20(11-30-22)32-25(34(21)12-14-6-7-36-13-14)33-23-18(27)8-16(26)9-19(23)28/h8-11,14-15,17H,2-7,12-13H2,1H3,(H,29,35)(H,30,31)(H,32,33)
InChIKeyCWQAGEWVEGOOJC-UHFFFAOYSA-N
XLogP4.35
TPSA93.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
CID 141369469
morpholin-4-yl-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]methanone
CID 70331048
4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol;sulfane
CID 160960885
methane;2-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]propan-2-ol
CID 157087166
4-[2-[[(3R)-3-methyloxan-4-yl]amino]-8-(2,4,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 121261120
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-[2-(oxolan-3-ylamino)-8-(2,4,6-trifluoroanilino)purin-9-yl]cyclohexyl]methanone;methane
CID 159821022
4-[2-(oxepan-4-ylamino)-8-(2,4,6-trifluoroanilino)purin-9-yl]cyclohexane-1-carboxamide
CID 121253376
1-deuterio-4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 53244734
N-[4-[[9-(oxolan-3-yl)-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 76572958
4-[[3-[(3S)-oxolan-3-yl]-2-(2,4,6-trifluoroanilino)benzimidazol-5-yl]amino]cyclohexan-1-ol
CID 122537382
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(oxolan-3-ylmethyl)benzimidazole
CID 66087140

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of 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) is N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide is CNC(=O)C1CCC(Nc2cc3c(cn2)nc(Nc2c(F)cc(F)cc2F)n3CC2CCOC2)CC1.
What is the InChIKey of N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is CWQAGEWVEGOOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O2/c1-29-24(35)15-2-4-17(5-3-15)31-22-10-21-20(11-30-22)32-25(34(21)12-14-6-7-36-13-14)33-23-18(27)8-16(26)9-19(23)28/h8-11,14-15,17H,2-7,12-13H2,1H3,(H,29,35)(H,30,31)(H,32,33).
What are the key properties of N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide?
N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 502.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-(oxolan-3-ylmethyl)-2-(2,4,6-trifluoroanilino)imidazo[4,5-c]pyridin-6-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 86566562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).