3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid

C45H39Cl2F2N15O3 — CID 158175852

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 158175852) has the molecular formula C45H39Cl2F2N15O3 and a molecular weight of 946.81 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid
• PubChem CID: 158175852
• Molecular Formula: C45H39Cl2F2N15O3
• Molecular Weight: 946.81 g/mol
• Exact Mass: 945.27
• IUPAC Name: 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid
• SMILES: NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1
• InChI: InChI=1S/C23H19ClFN7O.C14H13N5O2.C8H7ClFN3/c24-17-7-8-30-13-26-19(23(30)22(17)25)3-5-20(33)15-9-27-31(10-15)11-16-12-32-21(28-16)6-4-18(29-32)14-1-2-14;20-14(21)10-5-15-18(6-10)7-11-8-19-13(16-11)4-3-12(17-19)9-1-2-9;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h4,6-10,12-14H,1-3,5,11H2;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2
• InChIKey: FXZIREXRRICRPJ-UHFFFAOYSA-N
• XLogP: 7.24
• TPSA: 211.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	946.81
LogP ≤ 5	7.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid?

The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid (CID 158175852) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid.

What is the SMILES notation for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid?

The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid is NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1.O=C(O)c1cnn(Cc2cn3nc(C4CC4)ccc3n2)c1.

What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid?

The InChIKey is FXZIREXRRICRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN7O.C14H13N5O2.C8H7ClFN3/c24-17-7-8-30-13-26-19(23(30)22(17)25)3-5-20(33)15-9-27-31(10-15)11-16-12-32-21(28-16)6-4-18(29-32)14-1-2-14;20-14(21)10-5-15-18(6-10)7-11-8-19-13(16-11)4-3-12(17-19)9-1-2-9;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10/h4,6-10,12-14H,1-3,5,11H2;3-6,8-9H,1-2,7H2,(H,20,21);1-2,4H,3,11H2.

What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid?

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 946.81 g/mol, XLogP of 7.24, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 158175852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).