1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one

C28H31FN6O — CID 138537472

About 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one

1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537472) has the molecular formula C28H31FN6O and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138537472
• Molecular Formula: C28H31FN6O
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.25
• IUPAC Name: 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one
• SMILES: CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC43CC3)cc2n1-c1cccc(C(C)(C)F)n1
• InChI: InChI=1S/C28H31FN6O/c1-17(2)34-26(36)20-15-31-24(13-22(20)35(34)25-7-5-6-23(33-25)27(3,4)29)32-19-8-9-21-18(12-19)14-30-16-28(21)10-11-28/h5-9,12-13,15,17,30H,10-11,14,16H2,1-4H3,(H,31,32)
• InChIKey: PXEUYBWAJSYSLT-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 76.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one (CID 138537472) is 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CNCC43CC3)cc2n1-c1cccc(C(C)(C)F)n1.

What is the InChIKey of 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one?

The InChIKey is PXEUYBWAJSYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c1-17(2)34-26(36)20-15-31-24(13-22(20)35(34)25-7-5-6-23(33-25)27(3,4)29)32-19-8-9-21-18(12-19)14-30-16-28(21)10-11-28/h5-9,12-13,15,17,30H,10-11,14,16H2,1-4H3,(H,31,32).

What are the key properties of 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one?

1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 486.60 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).