1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride

C45H44ClN15O3 — CID 158763864

IUPAC1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2nccn2c1.O=C(CCc1ccc2nccn2c1)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C23H21N7O.C14H13N5O2.C8H9N3.ClH/c31-21(6-1-16-2-7-22-24-9-10-28(22)11-16)20-15-30(27-26-20)14-19-13-29-12-18(17-3-4-17)5-8-23(29)25-19;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;9-5-7-1-2-8-10-3-4-11(8)6-7;/h2,5,7-13,15,17H,1,3-4,6,14H2;3-6,8-9H,1-2,7H2,(H,20,21);1-4,6H,5,9H2;1H
InChIKeySEXYRALOGMWXDY-UHFFFAOYSA-N
MW878.40 g/mol
LogP6.08
Rot. Bonds12

About 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride

1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride (PubChem CID 158763864) has the molecular formula C45H44ClN15O3 and a molecular weight of 878.40 g/mol. Its IUPAC name is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride
PubChem CID158763864
Molecular FormulaC45H44ClN15O3
Molecular Weight878.40 g/mol
Exact Mass877.34
IUPAC Name1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride
SMILESCl.NCc1ccc2nccn2c1.O=C(CCc1ccc2nccn2c1)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C23H21N7O.C14H13N5O2.C8H9N3.ClH/c31-21(6-1-16-2-7-22-24-9-10-28(22)11-16)20-15-30(27-26-20)14-19-13-29-12-18(17-3-4-17)5-8-23(29)25-19;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;9-5-7-1-2-8-10-3-4-11(8)6-7;/h2,5,7-13,15,17H,1,3-4,6,14H2;3-6,8-9H,1-2,7H2,(H,20,21);1-4,6H,5,9H2;1H
InChIKeySEXYRALOGMWXDY-UHFFFAOYSA-N
XLogP6.08
TPSA211.01 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500878.40
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride with MolForge

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Related Compounds

3-(7-Chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 157298740
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-(imidazo[1,2-a]pyridin-6-ylmethyl)triazole-4-carboxamide
CID 156179755
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;methyl 2-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;methyl 2H-triazole-4-carboxylate
CID 157205696
3-Amino-6-imidazo[1,2-a]pyridin-6-yl-5-(triazol-2-yl)pyrazine-2-carboxylic acid;1-[3-amino-6-imidazo[1,2-a]pyridin-6-yl-5-(triazol-2-yl)pyrazin-2-yl]-3-(3-fluoro-2-pyridinyl)propan-1-one;methane;methyl 3-amino-6-chloro-5-(triazol-2-yl)pyrazine-2-carboxylate
CID 157218230
2-[[4-(Azidomethyl)triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine;2-(7-chloroimidazo[1,5-a]pyridin-1-yl)acetic acid;1-(7-chloroimidazo[1,5-a]pyridin-1-yl)-4-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]butan-2-one;[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanamine;[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methanol;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;methane;iodide
CID 157226661
1-[(6-Cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine
CID 157335447
3-(6-Chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 157399872
3-[[4-[[4-[2-(2-amino-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl)acetyl]triazol-1-yl]methyl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-2-one;1-[[4-[(2-oxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]phenyl]methyl]triazole-4-carboxylic acid
CID 157450440
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-[2-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;3-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanenitrile
CID 157458257
3-(7-Bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]propan-1-one;(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
CID 157478392
3-[5-Chloro-2-(tetrazol-1-yl)phenyl]-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid
CID 157505548
9-Chloro-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-5-amine;2-(9-chloro-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraen-5-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethanone;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
CID 157536796

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride?
The IUPAC name of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride (CID 158763864) is 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride?
The canonical SMILES for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride is Cl.NCc1ccc2nccn2c1.O=C(CCc1ccc2nccn2c1)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.
What is the InChIKey of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride?
The InChIKey is SEXYRALOGMWXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O.C14H13N5O2.C8H9N3.ClH/c31-21(6-1-16-2-7-22-24-9-10-28(22)11-16)20-15-30(27-26-20)14-19-13-29-12-18(17-3-4-17)5-8-23(29)25-19;20-14(21)12-8-19(17-16-12)7-11-6-18-5-10(9-1-2-9)3-4-13(18)15-11;9-5-7-1-2-8-10-3-4-11(8)6-7;/h2,5,7-13,15,17H,1,3-4,6,14H2;3-6,8-9H,1-2,7H2,(H,20,21);1-4,6H,5,9H2;1H.
What are the key properties of 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride?
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride has a molecular weight of 878.40 g/mol, XLogP of 6.08, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-imidazo[1,2-a]pyridin-6-ylpropan-1-one;imidazo[1,2-a]pyridin-6-ylmethanamine;hydrochloride is sourced from PubChem (CID 158763864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).