[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol

C23H23FN8O — CID 156892507

IUPAC[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol
SMILESCc1ccn2cnc(CNC(O)c3cn(Cc4cn5cc(C6CC6)ccc5n4)nn3)c2c1F
InChIInChI=1S/C23H23FN8O/c1-14-6-7-30-13-26-18(22(30)21(14)24)8-25-23(33)19-12-32(29-28-19)11-17-10-31-9-16(15-2-3-15)4-5-20(31)27-17/h4-7,9-10,12-13,15,23,25,33H,2-3,8,11H2,1H3
InChIKeyPVPNPPUCKHZLCX-UHFFFAOYSA-N
MW446.49 g/mol
LogP2.73
Rot. Bonds7

About [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol

[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol (PubChem CID 156892507) has the molecular formula C23H23FN8O and a molecular weight of 446.49 g/mol. Its IUPAC name is [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol.

Molecular Properties

Compound Name[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol
PubChem CID156892507
Molecular FormulaC23H23FN8O
Molecular Weight446.49 g/mol
Exact Mass446.20
IUPAC Name[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol
SMILESCc1ccn2cnc(CNC(O)c3cn(Cc4cn5cc(C6CC6)ccc5n4)nn3)c2c1F
InChIInChI=1S/C23H23FN8O/c1-14-6-7-30-13-26-18(22(30)21(14)24)8-25-23(33)19-12-32(29-28-19)11-17-10-31-9-16(15-2-3-15)4-5-20(31)27-17/h4-7,9-10,12-13,15,23,25,33H,2-3,8,11H2,1H3
InChIKeyPVPNPPUCKHZLCX-UHFFFAOYSA-N
XLogP2.73
TPSA97.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 52.73
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

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-[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
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
1-(4-(3-(6-(((3S,4S)-4-fluoropyrrolidin-3-yl)-amino)pyridin-2-yl)-imidazo[1,2-a]pyridin-6-yl)-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 166961571
6-(6-(1-cyclopropyl-1H-pyrazol-4-yl)imidazo-[1,2-a]pyridin-3-yl)-N-((3S,4S)-4-fluoro-pyrrolidin-3-yl)pyridin-2-amine
CID 166961573
N-((3S,4S)-4-fluoro-pyrrolidin-3-yl)-6-(6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 166961746
[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074463
[6-cyclopropyl-3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074480
[1-(1H-pyrrolo[2,3-b]pyridin-3-yl)triazol-4-yl]methanol
CID 127030003
3-{4-[8-Cyclopropylmethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-ylamino}-2,2-dimethylpropan-1-ol
CID 16050449
{7-[2-(3-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl}-methanol
CID 57503253

Frequently Asked Questions

What is the IUPAC name of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?
The IUPAC name of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol (CID 156892507) is [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol.
What is the SMILES notation for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?
The canonical SMILES for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol is Cc1ccn2cnc(CNC(O)c3cn(Cc4cn5cc(C6CC6)ccc5n4)nn3)c2c1F.
What is the InChIKey of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?
The InChIKey is PVPNPPUCKHZLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8O/c1-14-6-7-30-13-26-18(22(30)21(14)24)8-25-23(33)19-12-32(29-28-19)11-17-10-31-9-16(15-2-3-15)4-5-20(31)27-17/h4-7,9-10,12-13,15,23,25,33H,2-3,8,11H2,1H3.
What are the key properties of [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol?
[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol has a molecular weight of 446.49 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-[(8-fluoro-7-methylimidazo[1,5-a]pyridin-1-yl)methylamino]methanol is sourced from PubChem (CID 156892507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).