1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

C25H29N7O — CID 138536197

IUPAC1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCN4)nc2n1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C25H29N7O/c1-15(2)31-23(33)18-14-27-24(28-17-9-10-19-16(13-17)11-12-26-19)30-22(18)32(31)21-8-6-7-20(29-21)25(3,4)5/h6-10,13-15,26H,11-12H2,1-5H3,(H,27,28,30)
InChIKeyUEMQIUSYHNUMIF-UHFFFAOYSA-N
MW443.56 g/mol
LogP4.57
Rot. Bonds4

About 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138536197) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID138536197
Molecular FormulaC25H29N7O
Molecular Weight443.56 g/mol
Exact Mass443.24
IUPAC Name1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCN4)nc2n1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C25H29N7O/c1-15(2)31-23(33)18-14-27-24(28-17-9-10-19-16(13-17)11-12-26-19)30-22(18)32(31)21-8-6-7-20(29-21)25(3,4)5/h6-10,13-15,26H,11-12H2,1-5H3,(H,27,28,30)
InChIKeyUEMQIUSYHNUMIF-UHFFFAOYSA-N
XLogP4.57
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one with MolForge

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Related Compounds

1-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536477
1-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537177
1-[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537086
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
2-tert-butyl-6-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-4-carbonitrile
CID 155203081
1-[6-(1-hydroxyethyl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536056
1-(6-cyclopropyl-2-pyridinyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;dihydrochloride
CID 138522866
2-propan-2-yl-1-(6-propan-2-yloxy-2-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536273
1-(3-tert-butylphenyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138523100
1-[6-(2-hydroxyethyl)-2-pyridinyl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536577
1-(6-tert-butyl-2-pyridinyl)-2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one
CID 138536507
1-(4-tert-butyl-1,3-thiazol-2-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 155193350

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (CID 138536197) is 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCN4)nc2n1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is UEMQIUSYHNUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-15(2)31-23(33)18-14-27-24(28-17-9-10-19-16(13-17)11-12-26-19)30-22(18)32(31)21-8-6-7-20(29-21)25(3,4)5/h6-10,13-15,26H,11-12H2,1-5H3,(H,27,28,30).
What are the key properties of 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 443.56 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2-pyridinyl)-6-(2,3-dihydro-1H-indol-5-ylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138536197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).