3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C27H23ClN6O3 — CID 163224759

About 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163224759) has the molecular formula C27H23ClN6O3 and a molecular weight of 514.97 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 163224759
• Molecular Formula: C27H23ClN6O3
• Molecular Weight: 514.97 g/mol
• Exact Mass: 514.15
• IUPAC Name: 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
• SMILES: COc1c(Cl)cccc1Nc1c(-c2ccncc2OCc2cn3ccccc3n2)[nH]c2c1C(=O)NCC2
• InChI: InChI=1S/C27H23ClN6O3/c1-36-26-18(28)5-4-6-20(26)33-25-23-19(9-11-30-27(23)35)32-24(25)17-8-10-29-13-21(17)37-15-16-14-34-12-3-2-7-22(34)31-16/h2-8,10,12-14,32-33H,9,11,15H2,1H3,(H,30,35)
• InChIKey: RIFZVQIIUIGCEG-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 105.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.97
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163224759) is 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is COc1c(Cl)cccc1Nc1c(-c2ccncc2OCc2cn3ccccc3n2)[nH]c2c1C(=O)NCC2.

What is the InChIKey of 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

The InChIKey is RIFZVQIIUIGCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O3/c1-36-26-18(28)5-4-6-20(26)33-25-23-19(9-11-30-27(23)35)32-24(25)17-8-10-29-13-21(17)37-15-16-14-34-12-3-2-7-22(34)31-16/h2-8,10,12-14,32-33H,9,11,15H2,1H3,(H,30,35).

What are the key properties of 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?

3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 514.97 g/mol, XLogP of 4.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-2-methoxyanilino)-2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163224759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).