6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one

C30H33N7O2 — CID 138537241

IUPAC6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(=O)N1Cc2cc(Nc3ncc4c(=O)n(C5CC5)n(-c5ccnc(C(C)(C)C)c5)c4n3)ccc2C2(CC2)C1
InChIInChI=1S/C30H33N7O2/c1-18(38)35-16-19-13-20(5-8-24(19)30(17-35)10-11-30)33-28-32-15-23-26(34-28)36(37(27(23)39)21-6-7-21)22-9-12-31-25(14-22)29(2,3)4/h5,8-9,12-15,21H,6-7,10-11,16-17H2,1-4H3,(H,32,33,34)
InChIKeyKXXRTMOYPQYHGU-UHFFFAOYSA-N
MW523.64 g/mol
LogP4.75
Rot. Bonds4

About 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one

6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138537241) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID138537241
Molecular FormulaC30H33N7O2
Molecular Weight523.64 g/mol
Exact Mass523.27
IUPAC Name6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(=O)N1Cc2cc(Nc3ncc4c(=O)n(C5CC5)n(-c5ccnc(C(C)(C)C)c5)c4n3)ccc2C2(CC2)C1
InChIInChI=1S/C30H33N7O2/c1-18(38)35-16-19-13-20(5-8-24(19)30(17-35)10-11-30)33-28-32-15-23-26(34-28)36(37(27(23)39)21-6-7-21)22-9-12-31-25(14-22)29(2,3)4/h5,8-9,12-15,21H,6-7,10-11,16-17H2,1-4H3,(H,32,33,34)
InChIKeyKXXRTMOYPQYHGU-UHFFFAOYSA-N
XLogP4.75
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-ethylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536940
6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138553651
2-cyclopropyl-6-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(6-oxo-1-propan-2-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 166899216
1-(2-tert-butyl-4-pyridinyl)-2-cyclopropyl-6-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one
CID 138536034
2-cyclopropyl-1-[4-fluoro-3-(2-hydroxypropan-2-yl)phenyl]-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 155203231
methyl 4-[2-cyclopropyl-3-oxo-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]pyridine-2-carboxylate
CID 138536440
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-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
2-cyclopropyl-6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 155202758
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
6-[[2-[2-(azetidin-1-yl)-2-oxoethyl]-3,4-dihydro-1H-isoquinolin-7-yl]amino]-1-(2-tert-butyl-4-pyridinyl)-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138537023
1-(2-tert-butyl-4-pyridinyl)-2-prop-2-enyl-6-[(1,1,2-trimethyl-3,4-dihydroisoquinolin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one
CID 138536478

Frequently Asked Questions

What is the IUPAC name of 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one (CID 138537241) is 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one is CC(=O)N1Cc2cc(Nc3ncc4c(=O)n(C5CC5)n(-c5ccnc(C(C)(C)C)c5)c4n3)ccc2C2(CC2)C1.
What is the InChIKey of 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is KXXRTMOYPQYHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-18(38)35-16-19-13-20(5-8-24(19)30(17-35)10-11-30)33-28-32-15-23-26(34-28)36(37(27(23)39)21-6-7-21)22-9-12-31-25(14-22)29(2,3)4/h5,8-9,12-15,21H,6-7,10-11,16-17H2,1-4H3,(H,32,33,34).
What are the key properties of 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one?
6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 523.64 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-cyclopropylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138537241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).