2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

C24H25N7OS — CID 165103163

IUPAC2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
SMILESCC1(c2csc(-n3c4nc(Nc5ccc6c(c5)CCNC6)ncc4c(=O)n3C3CC3)n2)CC1
InChIInChI=1S/C24H25N7OS/c1-24(7-8-24)19-13-33-23(28-19)31-20-18(21(32)30(31)17-4-5-17)12-26-22(29-20)27-16-3-2-15-11-25-9-6-14(15)10-16/h2-3,10,12-13,17,25H,4-9,11H2,1H3,(H,26,27,29)
InChIKeyOKIRMRNJANUPPC-UHFFFAOYSA-N
MW459.58 g/mol
LogP3.81
Rot. Bonds5

About 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one

2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 165103163) has the molecular formula C24H25N7OS and a molecular weight of 459.58 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID165103163
Molecular FormulaC24H25N7OS
Molecular Weight459.58 g/mol
Exact Mass459.18
IUPAC Name2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
SMILESCC1(c2csc(-n3c4nc(Nc5ccc6c(c5)CCNC6)ncc4c(=O)n3C3CC3)n2)CC1
InChIInChI=1S/C24H25N7OS/c1-24(7-8-24)19-13-33-23(28-19)31-20-18(21(32)30(31)17-4-5-17)12-26-22(29-20)27-16-3-2-15-11-25-9-6-14(15)10-16/h2-3,10,12-13,17,25H,4-9,11H2,1H3,(H,26,27,29)
InChIKeyOKIRMRNJANUPPC-UHFFFAOYSA-N
XLogP3.81
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one with MolForge

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one;hydrochloride
CID 155193357
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
2-cyclopropyl-1-(1-cyclopropylpyrazol-3-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537801
6-[(1,1-dimethyl-3,4-dihydro-2H-isoquinolin-6-yl)amino]-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-3-one
CID 164973574
2-cyclopropyl-1-[5-(2-fluoropropan-2-yl)-1,2-thiazol-3-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138538066
2-cyclopropyl-1-[2-(3-hydroxyoxetan-3-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536702
1-(3-tert-butyl-4-fluorophenyl)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 155202967
2-cyclopropyl-1-[6-[methyl(propan-2-yl)amino]-2-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536828
2-cyclopropyl-1-[5-(2-fluoropropan-2-yl)-1,2-oxazol-3-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536679
2-cyclopropyl-1-(2-cyclopropyloxy-4-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536754
2-cyclopropyl-1-(5-fluoro-2-pyridinyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537290
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 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one (CID 165103163) is 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is CC1(c2csc(-n3c4nc(Nc5ccc6c(c5)CCNC6)ncc4c(=O)n3C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is OKIRMRNJANUPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7OS/c1-24(7-8-24)19-13-33-23(28-19)31-20-18(21(32)30(31)17-4-5-17)12-26-22(29-20)27-16-3-2-15-11-25-9-6-14(15)10-16/h2-3,10,12-13,17,25H,4-9,11H2,1H3,(H,26,27,29).
What are the key properties of 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one?
2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 459.58 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(1-methylcyclopropyl)-1,3-thiazol-2-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 165103163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).