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

C26H30FN7O2 — CID 159040106

IUPAC1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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(CCN(C)C)c4n3)nn2)c1F
InChIInChI=1S/C26H30FN7O2/c1-32(2)11-9-18-12-19(17-4-5-17)13-33-14-20(29-26(18)33)15-34-16-22(30-31-34)23(35)7-6-21-25(27)24(36-3)8-10-28-21/h8,10,12-14,16-17H,4-7,9,11,15H2,1-3H3
InChIKeyLWBWPUBJEHMWQC-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.31
Rot. Bonds11

About 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (PubChem CID 159040106) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one
PubChem CID159040106
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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(CCN(C)C)c4n3)nn2)c1F
InChIInChI=1S/C26H30FN7O2/c1-32(2)11-9-18-12-19(17-4-5-17)13-33-14-20(29-26(18)33)15-34-16-22(30-31-34)23(35)7-6-21-25(27)24(36-3)8-10-28-21/h8,10,12-14,16-17H,4-7,9,11,15H2,1-3H3
InChIKeyLWBWPUBJEHMWQC-UHFFFAOYSA-N
XLogP3.31
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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

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
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
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
1-((6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl)-N-(2,6-difluoro-3-methoxybenzyl)-1H-1,2,3-triazole-4-carboxamide
CID 156152274

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one (CID 159040106) is 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]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-(dimethylamino)ethyl]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(CCN(C)C)c4n3)nn2)c1F.
What is the InChIKey of 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one?
The InChIKey is LWBWPUBJEHMWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-32(2)11-9-18-12-19(17-4-5-17)13-33-14-20(29-26(18)33)15-34-16-22(30-31-34)23(35)7-6-21-25(27)24(36-3)8-10-28-21/h8,10,12-14,16-17H,4-7,9,11,15H2,1-3H3.
What are the key properties of 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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-(dimethylamino)ethyl]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 491.57 g/mol, XLogP of 3.31, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[6-cyclopropyl-8-[2-(dimethylamino)ethyl]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 159040106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).