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

C43H43F2N13O5 — CID 157335447

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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine

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 (PubChem CID 157335447) has the molecular formula C43H43F2N13O5 and a molecular weight of 859.90 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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157335447
• Molecular Formula: C43H43F2N13O5
• Molecular Weight: 859.90 g/mol
• Exact Mass: 859.35
• IUPAC Name: 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
• SMILES: COc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.COc1ccnc(CN)c1F.O=C(O)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
• InChI: InChI=1S/C22H21FN6O2.C14H13N5O2.C7H9FN2O/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;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;1-11-6-2-3-10-5(4-9)7(6)8/h4,7-11,13-14H,2-3,5-6,12H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);2-3H,4,9H2,1H3
• InChIKey: BFUAMZVDNQMJDK-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 220.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.90
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine?

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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine (CID 157335447) 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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine.

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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine?

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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine is COc1ccnc(CCC(=O)c2cn(Cc3cn4cc(C5CC5)ccc4n3)nn2)c1F.COc1ccnc(CN)c1F.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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine?

The InChIKey is BFUAMZVDNQMJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2.C14H13N5O2.C7H9FN2O/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;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;1-11-6-2-3-10-5(4-9)7(6)8/h4,7-11,13-14H,2-3,5-6,12H2,1H3;3-6,8-9H,1-2,7H2,(H,20,21);2-3H,4,9H2,1H3.

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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine?

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 has a molecular weight of 859.90 g/mol, XLogP of 5.45, 14 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-(3-fluoro-4-methoxy-2-pyridinyl)propan-1-one;(3-fluoro-4-methoxy-2-pyridinyl)methanamine is sourced from PubChem (CID 157335447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).