1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

C23H28N8OS — CID 138553936

IUPAC1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3nc4c(s3)CCNC4)nc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C23H28N8OS/c1-13(2)30-20(32)15-11-26-21(29-22-27-16-12-24-8-7-17(16)33-22)28-19(15)31(30)14-6-9-25-18(10-14)23(3,4)5/h6,9-11,13,24H,7-8,12H2,1-5H3,(H,26,27,28,29)
InChIKeyCDKGTMBUFBYBCX-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.70
Rot. Bonds4

About 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138553936) has the molecular formula C23H28N8OS and a molecular weight of 464.60 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID138553936
Molecular FormulaC23H28N8OS
Molecular Weight464.60 g/mol
Exact Mass464.21
IUPAC Name1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3nc4c(s3)CCNC4)nc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C23H28N8OS/c1-13(2)30-20(32)15-11-26-21(29-22-27-16-12-24-8-7-17(16)33-22)28-19(15)31(30)14-6-9-25-18(10-14)23(3,4)5/h6,9-11,13,24H,7-8,12H2,1-5H3,(H,26,27,28,29)
InChIKeyCDKGTMBUFBYBCX-UHFFFAOYSA-N
XLogP3.70
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one with MolForge

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Related Compounds

1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536970
7-[[1-(2-tert-butyl-4-pyridinyl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 138537919
2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 138538276
1-(2-tert-butyl-4-pyridinyl)-6-[(1,1-dimethyl-2,3-dihydroisoindol-5-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138553648
1-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536036
1-[2-(3-fluoro-2-hydroxybutan-2-yl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 164971358
1-(2-tert-butyl-4-pyridinyl)-6-[(6-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138537717
1-(2-tert-butyl-4-pyridinyl)-6-[(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138538069
1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536192
1-(2-tert-butyl-4-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138522917
1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-[(1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one;1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;1-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-1-[2-(1,1,1-trifluoropropan-2-yl)-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 165074066
2-propan-2-yl-1-(2-propan-2-yloxy-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138535966

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (CID 138553936) is 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is CC(C)n1c(=O)c2cnc(Nc3nc4c(s3)CCNC4)nc2n1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is CDKGTMBUFBYBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8OS/c1-13(2)30-20(32)15-11-26-21(29-22-27-16-12-24-8-7-17(16)33-22)28-19(15)31(30)14-6-9-25-18(10-14)23(3,4)5/h6,9-11,13,24H,7-8,12H2,1-5H3,(H,26,27,28,29).
What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 464.60 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138553936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).