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

C25H29N7O2 — CID 138537689

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

1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537689) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138537689
• Molecular Formula: C25H29N7O2
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.24
• IUPAC Name: 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
• SMILES: CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)O)n1
• InChI: InChI=1S/C25H29N7O2/c1-15(2)31-23(33)19-14-28-21(29-18-6-5-17-13-26-9-7-16(17)11-18)12-20(19)32(31)22-8-10-27-24(30-22)25(3,4)34/h5-6,8,10-12,14-15,26,34H,7,9,13H2,1-4H3,(H,28,29)
• InChIKey: HFOPZSWVUOYGTB-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 109.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one (CID 138537689) is 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one.

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

The canonical SMILES for 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)O)n1.

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

The InChIKey is HFOPZSWVUOYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-15(2)31-23(33)19-14-28-21(29-18-6-5-17-13-26-9-7-16(17)11-18)12-20(19)32(31)22-8-10-27-24(30-22)25(3,4)34/h5-6,8,10-12,14-15,26,34H,7,9,13H2,1-4H3,(H,28,29).

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

1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 459.55 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).