2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one

C25H28N6O2 — CID 138538029

About 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one

2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138538029) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138538029
• Molecular Formula: C25H28N6O2
• Molecular Weight: 444.54 g/mol
• Exact Mass: 444.23
• IUPAC Name: 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
• SMILES: CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)O)c1
• InChI: InChI=1S/C25H28N6O2/c1-4-30-24(32)20-15-28-23(29-18-6-5-17-14-26-9-7-16(17)11-18)13-21(20)31(30)19-8-10-27-22(12-19)25(2,3)33/h5-6,8,10-13,15,26,33H,4,7,9,14H2,1-3H3,(H,28,29)
• InChIKey: UKJLCTKOYNLEGK-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 97.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.54
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one (CID 138538029) is 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)O)c1.

What is the InChIKey of 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?

The InChIKey is UKJLCTKOYNLEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-4-30-24(32)20-15-28-23(29-18-6-5-17-14-26-9-7-16(17)11-18)13-21(20)31(30)19-8-10-27-22(12-19)25(2,3)33/h5-6,8,10-13,15,26,33H,4,7,9,14H2,1-3H3,(H,28,29).

What are the key properties of 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?

2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 444.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138538029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).