1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one

C24H25FN6O3 — CID 159040105

IUPAC1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(CCO)c4n3)nn2)c1F
InChIInChI=1S/C24H25FN6O3/c1-34-22-6-8-26-19(23(22)25)4-5-21(33)20-14-31(29-28-20)13-18-12-30-11-17(15-2-3-15)10-16(7-9-32)24(30)27-18/h6,8,10-12,14-15,32H,2-5,7,9,13H2,1H3
InChIKeyDUTRKSAFSXHXBS-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.74
Rot. Bonds10

About 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one

1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (PubChem CID 159040105) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
PubChem CID159040105
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(CCO)c4n3)nn2)c1F
InChIInChI=1S/C24H25FN6O3/c1-34-22-6-8-26-19(23(22)25)4-5-21(33)20-14-31(29-28-20)13-18-12-30-11-17(15-2-3-15)10-16(7-9-32)24(30)27-18/h6,8,10-12,14-15,32H,2-5,7,9,13H2,1H3
InChIKeyDUTRKSAFSXHXBS-UHFFFAOYSA-N
XLogP2.74
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one with MolForge

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Related Compounds

3-(2-((4-((6-cyano-2-fluor-3-methoxybenzyl)carbamoyl)-1H-1,2,3-triazol-1-yl)methyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl)propanoic Acid
CID 156151852
3-(6-cyclopropyl-2-((4-((2-fluoro-3-methoxy-6-(1H-tetrazol-1-yl)benzyl)carbamoyl)-1H-1,2,3-triazol-1-yl)methyl)imidazo[1,2-a]pyridin-8-yl)-2,2-dimethylpropanoic acid
CID 156152135
3-(6-cyclopropyl-2-((4-((2-fluoro-3-methoxy-6-(1H-tetrazol-1-yl)benzyl)carbamoyl)-1H-1,2,3-triazol-1-yl)methyl)imidazo[1,2-a]pyridin-8-yl)propanoic acid
CID 156152230
1-((6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl)methyl)-N-(3-fluoro-4-methoxypyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152264
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-3-methoxy-6-(pyridazin-4-yl)benzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156151855
2'-((1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamido)methyl)-3'-fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid
CID 156151929
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156151937
Methyl 2'-((1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamido)methyl)-3'-fluoro-4'-methoxy-[1,1'-biphenyl]-4-carboxylate
CID 156151958
1-((8-(2-cyano-2-methylpropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2,6-difluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156151992
1-((8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2,6-difluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152120
1-((6-cyclopropyl-8-((2-(dimethylamino)ethoxy)methyl)imidazo[1,2-a]pyridin-2-yl)methyl)-N-(2,6-difluoro-3-ethoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152194
1-((6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl)methyl)-N-((4-(difluoromethoxy)-3-fluoropyridin-2-yl))ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152231

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The IUPAC name of 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (CID 159040105) is 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The canonical SMILES for 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one is COc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)cc(CCO)c4n3)nn2)c1F.
What is the InChIKey of 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The InChIKey is DUTRKSAFSXHXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-34-22-6-8-26-19(23(22)25)4-5-21(33)20-14-31(29-28-20)13-18-12-30-11-17(15-2-3-15)10-16(7-9-32)24(30)27-18/h6,8,10-12,14-15,32H,2-5,7,9,13H2,1H3.
What are the key properties of 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one has a molecular weight of 464.50 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one is sourced from PubChem (CID 159040105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).