4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol

C22H26FN5O2 — CID 141369469

IUPAC4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc3c(cn2)nc(Nc2ccccc2F)n3[C@H]2CCOC2)CC1
InChIInChI=1S/C22H26FN5O2/c23-17-3-1-2-4-18(17)26-22-27-19-12-24-21(25-14-5-7-16(29)8-6-14)11-20(19)28(22)15-9-10-30-13-15/h1-4,11-12,14-16,29H,5-10,13H2,(H,24,25)(H,26,27)/t14?,15-,16?/m0/s1
InChIKeyVGJVJDPHGIBTDZ-PCKAHOCUSA-N
MW411.48 g/mol
LogP3.99
Rot. Bonds5

About 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol

4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol (PubChem CID 141369469) has the molecular formula C22H26FN5O2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
PubChem CID141369469
Molecular FormulaC22H26FN5O2
Molecular Weight411.48 g/mol
Exact Mass411.21
IUPAC Name4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cc3c(cn2)nc(Nc2ccccc2F)n3[C@H]2CCOC2)CC1
InChIInChI=1S/C22H26FN5O2/c23-17-3-1-2-4-18(17)26-22-27-19-12-24-21(25-14-5-7-16(29)8-6-14)11-20(19)28(22)15-9-10-30-13-15/h1-4,11-12,14-16,29H,5-10,13H2,(H,24,25)(H,26,27)/t14?,15-,16?/m0/s1
InChIKeyVGJVJDPHGIBTDZ-PCKAHOCUSA-N
XLogP3.99
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[3-[(3S)-oxolan-3-yl]-2-(2,4,6-trifluoroanilino)benzimidazol-5-yl]amino]cyclohexan-1-ol
CID 122537382
4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol;sulfane
CID 160960885
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
2-N-cyclohexyl-8-N-(2,4-difluorophenyl)-9-[(3S)-oxolan-3-yl]purine-2,8-diamine
CID 70320390
8-N-(2,6-difluorophenyl)-2-N-(oxan-4-yl)-9-[(3S)-oxolan-3-yl]purine-2,8-diamine;methane
CID 161099731
1-deuterio-4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 53244734
N-(2-fluorophenyl)-2-(methylideneamino)-9-(oxan-4-yl)purin-8-amine
CID 123330394
4-[[8-(2-fluoroanilino)-9-(3-methyliminopropyl)purin-2-yl]amino]cyclohexan-1-ol
CID 130311368
2,5-dideuterio-4-[[9-(oxolan-3-yl)-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 89403701
4-[[9-[(3S)-5,5-dideuteriooxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 53244735
methane;2-[4-[[9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexyl]propan-2-ol
CID 157087166
1,2,2,3,3-pentadeuterio-4-[[9-(oxolan-3-yl)-8-(2,4,6-trifluoroanilino)purin-2-yl]amino]cyclohexan-1-ol
CID 89403623

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol (CID 141369469) is 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2cc3c(cn2)nc(Nc2ccccc2F)n3[C@H]2CCOC2)CC1.
What is the InChIKey of 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
The InChIKey is VGJVJDPHGIBTDZ-PCKAHOCUSA-N. The full InChI is InChI=1S/C22H26FN5O2/c23-17-3-1-2-4-18(17)26-22-27-19-12-24-21(25-14-5-7-16(29)8-6-14)11-20(19)28(22)15-9-10-30-13-15/h1-4,11-12,14-16,29H,5-10,13H2,(H,24,25)(H,26,27)/t14?,15-,16?/m0/s1.
What are the key properties of 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol?
4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol has a molecular weight of 411.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluoroanilino)-1-[(3S)-oxolan-3-yl]imidazo[4,5-c]pyridin-6-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 141369469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).