N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide

C27H25N7O2 — CID 166682193

About N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide

N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide (PubChem CID 166682193) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
• PubChem CID: 166682193
• Molecular Formula: C27H25N7O2
• Molecular Weight: 479.54 g/mol
• Exact Mass: 479.21
• IUPAC Name: N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide
• SMILES: CC1(C#N)COCc2ccc(C(=O)NCc3cc4nn(-c5cccc(N6CCC6)n5)cc4cn3)cc21
• InChI: InChI=1S/C27H25N7O2/c1-27(16-28)17-36-15-19-7-6-18(10-22(19)27)26(35)30-13-21-11-23-20(12-29-21)14-34(32-23)25-5-2-4-24(31-25)33-8-3-9-33/h2,4-7,10-12,14H,3,8-9,13,15,17H2,1H3,(H,30,35)
• InChIKey: MGUBEOMJKUVLKR-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 108.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.54
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?

The IUPAC name of N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide (CID 166682193) is N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide.

What is the SMILES notation for N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?

The canonical SMILES for N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide is CC1(C#N)COCc2ccc(C(=O)NCc3cc4nn(-c5cccc(N6CCC6)n5)cc4cn3)cc21.

What is the InChIKey of N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?

The InChIKey is MGUBEOMJKUVLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-27(16-28)17-36-15-19-7-6-18(10-22(19)27)26(35)30-13-21-11-23-20(12-29-21)14-34(32-23)25-5-2-4-24(31-25)33-8-3-9-33/h2,4-7,10-12,14H,3,8-9,13,15,17H2,1H3,(H,30,35).

What are the key properties of N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide?

N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[6-(azetidin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]methyl]-4-cyano-4-methyl-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 166682193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).