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

C22H21FN6O2 — CID 157335448

IUPAC1-[1-[(6-cyclopropylimidazo[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)ccc4n3)nn2)c1F
InChIInChI=1S/C22H21FN6O2/c1-31-20-8-9-24-17(22(20)23)5-6-19(30)18-13-29(27-26-18)12-16-11-28-10-15(14-2-3-14)4-7-21(28)25-16/h4,7-11,13-14H,2-3,5-6,12H2,1H3
InChIKeyHTZFSUFDITXWKA-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.21
Rot. Bonds8

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

1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (PubChem CID 157335448) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 1-[1-[(6-cyclopropylimidazo[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-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
PubChem CID157335448
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name1-[1-[(6-cyclopropylimidazo[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)ccc4n3)nn2)c1F
InChIInChI=1S/C22H21FN6O2/c1-31-20-8-9-24-17(22(20)23)5-6-19(30)18-13-29(27-26-18)12-16-11-28-10-15(14-2-3-14)4-7-21(28)25-16/h4,7-11,13-14H,2-3,5-6,12H2,1H3
InChIKeyHTZFSUFDITXWKA-UHFFFAOYSA-N
XLogP3.21
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-3-methoxy-6-(1H-1,2,3-triazol-1-yl)benzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152172
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
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156151937
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-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-6-(1H-imidazol-1-yl)-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152062
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
5-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-N-((3-fluoro-4-methoxypyridin-2-yl)methyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 156152137
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2-fluoro-6-(imidazo[1,2-a]pyridin-2-yl)-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152140
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
4-methoxypyridin-2-yl)methyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152260

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6-cyclopropylimidazo[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-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (CID 157335448) is 1-[1-[(6-cyclopropylimidazo[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-cyclopropylimidazo[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-cyclopropylimidazo[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)ccc4n3)nn2)c1F.
What is the InChIKey of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The InChIKey is HTZFSUFDITXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-31-20-8-9-24-17(22(20)23)5-6-19(30)18-13-29(27-26-18)12-16-11-28-10-15(14-2-3-14)4-7-21(28)25-16/h4,7-11,13-14H,2-3,5-6,12H2,1H3.
What are the key properties of 1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
1-[1-[(6-cyclopropylimidazo[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 420.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6-cyclopropylimidazo[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 157335448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).