[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol

C20H19FN8O — CID 163438924

IUPAC[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
SMILESCc1ccn2cnc(CNC(O)c3cn(Cc4cn5ccccc5n4)nn3)c2c1F
InChIInChI=1S/C20H19FN8O/c1-13-5-7-28-12-23-15(19(28)18(13)21)8-22-20(30)16-11-29(26-25-16)10-14-9-27-6-3-2-4-17(27)24-14/h2-7,9,11-12,20,22,30H,8,10H2,1H3
InChIKeyAWWHHRPLLXOXHC-UHFFFAOYSA-N
MW406.43 g/mol
LogP1.85
Rot. Bonds6

About [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol

[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 163438924) has the molecular formula C20H19FN8O and a molecular weight of 406.43 g/mol. Its IUPAC name is [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
PubChem CID163438924
Molecular FormulaC20H19FN8O
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol
SMILESCc1ccn2cnc(CNC(O)c3cn(Cc4cn5ccccc5n4)nn3)c2c1F
InChIInChI=1S/C20H19FN8O/c1-13-5-7-28-12-23-15(19(28)18(13)21)8-22-20(30)16-11-29(26-25-16)10-14-9-27-6-3-2-4-17(27)24-14/h2-7,9,11-12,20,22,30H,8,10H2,1H3
InChIKeyAWWHHRPLLXOXHC-UHFFFAOYSA-N
XLogP1.85
TPSA97.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
rel-(3R,4R)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]-3-pyrrolidinol
CID 46939411
2-(4-(1-(Pyrazolo[1,5-a]pyridin-5-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol
CID 53262518
2-[4-[3-(Imidazo[1,2-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 54759543
2-[4-[3-[(1R)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68289397
2-[4-[3-[(1S)-1-pyrazolo[1,5-a]pyridin-5-ylethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 68353991
(1-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-1H-imidazol-4-yl)methanol
CID 76336449
3-[4-(2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrazol-1-yl]propan-1-ol
CID 118275156
2-[[4-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 145970805
2-(2-Fluorophenyl)-5-[[1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)triazol-4-yl]methyl]imidazo[4,5-c]pyridine
CID 145987724
US10336761, Example 251
CID 126484204

Frequently Asked Questions

What is the IUPAC name of [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol (CID 163438924) is [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol is Cc1ccn2cnc(CNC(O)c3cn(Cc4cn5ccccc5n4)nn3)c2c1F.
What is the InChIKey of [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is AWWHHRPLLXOXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN8O/c1-13-5-7-28-12-23-15(19(28)18(13)21)8-22-20(30)16-11-29(26-25-16)10-14-9-27-6-3-2-4-17(27)24-14/h2-7,9,11-12,20,22,30H,8,10H2,1H3.
What are the key properties of [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol?
[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 406.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 163438924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).