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

C28H34N8O2 — CID 138537919

IUPAC7-[[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
SMILESCNC(=O)c1cc(Nc2ncc3c(=O)n(C(C)C)n(-c4ccnc(C(C)(C)C)c4)c3n2)cc2c1CCNC2
InChIInChI=1S/C28H34N8O2/c1-16(2)35-26(38)22-15-32-27(34-24(22)36(35)19-7-10-31-23(13-19)28(3,4)5)33-18-11-17-14-30-9-8-20(17)21(12-18)25(37)29-6/h7,10-13,15-16,30H,8-9,14H2,1-6H3,(H,29,37)(H,32,33,34)
InChIKeyMAKRYLIXGBSTHE-UHFFFAOYSA-N
MW514.63 g/mol
LogP3.60
Rot. Bonds5

About 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

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 (PubChem CID 138537919) has the molecular formula C28H34N8O2 and a molecular weight of 514.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[[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
PubChem CID138537919
Molecular FormulaC28H34N8O2
Molecular Weight514.63 g/mol
Exact Mass514.28
IUPAC Name7-[[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
SMILESCNC(=O)c1cc(Nc2ncc3c(=O)n(C(C)C)n(-c4ccnc(C(C)(C)C)c4)c3n2)cc2c1CCNC2
InChIInChI=1S/C28H34N8O2/c1-16(2)35-26(38)22-15-32-27(34-24(22)36(35)19-7-10-31-23(13-19)28(3,4)5)33-18-11-17-14-30-9-8-20(17)21(12-18)25(37)29-6/h7,10-13,15-16,30H,8-9,14H2,1-6H3,(H,29,37)(H,32,33,34)
InChIKeyMAKRYLIXGBSTHE-UHFFFAOYSA-N
XLogP3.60
TPSA118.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.63
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 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

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
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
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)-2-cyclopropyl-6-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyrazolo[3,4-d]pyrimidin-3-one
CID 138536034
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-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
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
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-(3-tert-butylphenyl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138523100
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
N-methyl-N-[4-[3-oxo-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-2-pyridinyl]acetamide
CID 138553832

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cc(Nc2ncc3c(=O)n(C(C)C)n(-c4ccnc(C(C)(C)C)c4)c3n2)cc2c1CCNC2.
What is the InChIKey of 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?
The InChIKey is MAKRYLIXGBSTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O2/c1-16(2)35-26(38)22-15-32-27(34-24(22)36(35)19-7-10-31-23(13-19)28(3,4)5)33-18-11-17-14-30-9-8-20(17)21(12-18)25(37)29-6/h7,10-13,15-16,30H,8-9,14H2,1-6H3,(H,29,37)(H,32,33,34).
What are the key properties of 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?
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 has a molecular weight of 514.63 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138537919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).