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

C45H41Cl2N15O3 — CID 157399872

About 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

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 (PubChem CID 157399872) has the molecular formula C45H41Cl2N15O3 and a molecular weight of 910.83 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157399872
• Molecular Formula: C45H41Cl2N15O3
• Molecular Weight: 910.83 g/mol
• Exact Mass: 909.29
• IUPAC Name: 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
• SMILES: NCc1nnc2ccc(Cl)cn12.O=C(CCc1nnc2ccc(Cl)cn12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C23H20ClN7O.C15H14N4O2.C7H7ClN4/c24-18-4-7-22-27-28-23(31(22)12-18)8-5-20(32)17-9-25-30(11-17)14-19-13-29-10-16(15-1-2-15)3-6-21(29)26-19;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;8-5-1-2-6-10-11-7(3-9)12(6)4-5/h3-4,6-7,9-13,15H,1-2,5,8,14H2;3-8,10H,1-2,9H2,(H,20,21);1-2,4H,3,9H2
• InChIKey: BNAFBGHLADNZRH-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 211.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	910.83
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is NCc1nnc2ccc(Cl)cn12.O=C(CCc1nnc2ccc(Cl)cn12)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3cc(C4CC4)ccc3n2)c1.

What is the InChIKey of 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?

The InChIKey is BNAFBGHLADNZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O.C15H14N4O2.C7H7ClN4/c24-18-4-7-22-27-28-23(31(22)12-18)8-5-20(32)17-9-25-30(11-17)14-19-13-29-10-16(15-1-2-15)3-6-21(29)26-19;20-15(21)12-5-16-19(7-12)9-13-8-18-6-11(10-1-2-10)3-4-14(18)17-13;8-5-1-2-6-10-11-7(3-9)12(6)4-5/h3-4,6-7,9-13,15H,1-2,5,8,14H2;3-8,10H,1-2,9H2,(H,20,21);1-2,4H,3,9H2.

What are the key properties of 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?

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 has a molecular weight of 910.83 g/mol, XLogP of 6.96, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157399872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).