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

C29H34N6O — CID 138537549

About 1-(2-tert-butyl-4-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-(2-tert-butyl-4-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 138537549) has the molecular formula C29H34N6O and a molecular weight of 482.63 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-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-(2-tert-butyl-4-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: 138537549
• Molecular Formula: C29H34N6O
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.28
• IUPAC Name: 1-(2-tert-butyl-4-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-c1ccnc(C(C)(C)C)c1
• InChI: InChI=1S/C29H34N6O/c1-18(2)34-27(36)22-16-32-26(14-24(22)35(34)21-8-11-31-25(13-21)28(3,4)5)33-20-6-7-23-19(12-20)15-30-17-29(23)9-10-29/h6-8,11-14,16,18,30H,9-10,15,17H2,1-5H3,(H,32,33)
• InChIKey: LRRNCYKNVRFSRG-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 76.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-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-(2-tert-butyl-4-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 138537549) is 1-(2-tert-butyl-4-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-(2-tert-butyl-4-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-(2-tert-butyl-4-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-c1ccnc(C(C)(C)C)c1.

What is the InChIKey of 1-(2-tert-butyl-4-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 LRRNCYKNVRFSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O/c1-18(2)34-27(36)22-16-32-26(14-24(22)35(34)21-8-11-31-25(13-21)28(3,4)5)33-20-6-7-23-19(12-20)15-30-17-29(23)9-10-29/h6-8,11-14,16,18,30H,9-10,15,17H2,1-5H3,(H,32,33).

What are the key properties of 1-(2-tert-butyl-4-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-(2-tert-butyl-4-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 482.63 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-tert-butyl-4-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 138537549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).