1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one

C17H16N8O — CID 175886097

IUPAC1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH]n(-c2ccn[nH]2)c2nc(Nc3ccc4c(c3)CCNC4)ncc12
InChIInChI=1S/C17H16N8O/c26-16-13-9-19-17(22-15(13)25(24-16)14-4-6-20-23-14)21-12-2-1-11-8-18-5-3-10(11)7-12/h1-2,4,6-7,9,18H,3,5,8H2,(H,20,23)(H,24,26)(H,19,21,22)
InChIKeyBFHYKHAGVHEWCS-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.22
Rot. Bonds3

About 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one

1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 175886097) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID175886097
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH]n(-c2ccn[nH]2)c2nc(Nc3ccc4c(c3)CCNC4)ncc12
InChIInChI=1S/C17H16N8O/c26-16-13-9-19-17(22-15(13)25(24-16)14-4-6-20-23-14)21-12-2-1-11-8-18-5-3-10(11)7-12/h1-2,4,6-7,9,18H,3,5,8H2,(H,20,23)(H,24,26)(H,19,21,22)
InChIKeyBFHYKHAGVHEWCS-UHFFFAOYSA-N
XLogP1.22
TPSA116.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-2-propan-2-yl-1-(1H-pyrazol-5-yl)pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride
CID 175886201
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
2-propan-2-yl-1-(1-propan-2-ylimidazol-4-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537910
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
2-ethyl-1-(2-propan-2-yl-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 165086845
4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4,5-triamine
CID 156831460
2-cyclopropyl-1-(1-cyclopropylpyrazol-3-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537801
1-methyl-3-N-phenyl-6-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 135377099
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-(2-tert-butyl-1,3-thiazol-5-yl)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537245
1-[2-(aminomethyl)-4-pyridinyl]-2-prop-2-enyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537465
2-cyclopropyl-1-(2-cyclopropyloxy-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536754

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one (CID 175886097) is 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one is O=c1[nH]n(-c2ccn[nH]2)c2nc(Nc3ccc4c(c3)CCNC4)ncc12.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is BFHYKHAGVHEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c26-16-13-9-19-17(22-15(13)25(24-16)14-4-6-20-23-14)21-12-2-1-11-8-18-5-3-10(11)7-12/h1-2,4,6-7,9,18H,3,5,8H2,(H,20,23)(H,24,26)(H,19,21,22).
What are the key properties of 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 348.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 175886097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).