6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20N6O2 — CID 126787995

About 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126787995) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 126787995
• Molecular Formula: C19H20N6O2
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.16
• IUPAC Name: 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCc2cnccc21
• InChI: InChI=1S/C19H20N6O2/c1-11-14(12(2)25-19(23-11)15(10-22-25)18(20)27)3-4-17(26)24-8-6-13-9-21-7-5-16(13)24/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,20,27)
• InChIKey: GIGYYPVYBCIZIL-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 106.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126787995) is 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCc2cnccc21.

What is the InChIKey of 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GIGYYPVYBCIZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-11-14(12(2)25-19(23-11)15(10-22-25)18(20)27)3-4-17(26)24-8-6-13-9-21-7-5-16(13)24/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,20,27).

What are the key properties of 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126787995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).