1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

C24H31N9O — CID 138536192

IUPAC1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3cc4n(n3)CCN(C)C4)nc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C24H31N9O/c1-15(2)32-22(34)18-13-26-23(27-20-12-17-14-30(6)9-10-31(17)29-20)28-21(18)33(32)16-7-8-25-19(11-16)24(3,4)5/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,26,27,28,29)
InChIKeyPPFDMDWIPWISNY-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one

1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 138536192) has the molecular formula C24H31N9O and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
PubChem CID138536192
Molecular FormulaC24H31N9O
Molecular Weight461.57 g/mol
Exact Mass461.27
IUPAC Name1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3cc4n(n3)CCN(C)C4)nc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C24H31N9O/c1-15(2)32-22(34)18-13-26-23(27-20-12-17-14-30(6)9-10-31(17)29-20)28-21(18)33(32)16-7-8-25-19(11-16)24(3,4)5/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,26,27,28,29)
InChIKeyPPFDMDWIPWISNY-UHFFFAOYSA-N
XLogP3.24
TPSA98.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one with MolForge

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Launch Full Analysis

Related Compounds

1-(2-tert-butyl-4-pyridinyl)-6-[(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 138538069
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-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-[7-[[1-(2-tert-butyl-4-pyridinyl)-3-oxo-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylmethanesulfonamide
CID 138537784
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)-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
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
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
1-(2-tert-butyl-4-pyridinyl)-6-[[2-(methylsulfinylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one;molecular hydrogen;hydrate
CID 142557724
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
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
1-[2-(1-fluoro-2-methylpropan-2-yl)-4-pyridinyl]-2-propan-2-yl-6-(spiro[3,4-dihydro-2H-isoquinoline-1,1'-cyclopropane]-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 155709578

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one (CID 138536192) is 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is CC(C)n1c(=O)c2cnc(Nc3cc4n(n3)CCN(C)C4)nc2n1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is PPFDMDWIPWISNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N9O/c1-15(2)32-22(34)18-13-26-23(27-20-12-17-14-30(6)9-10-31(17)29-20)28-21(18)33(32)16-7-8-25-19(11-16)24(3,4)5/h7-8,11-13,15H,9-10,14H2,1-6H3,(H,26,27,28,29).
What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one?
1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 461.57 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-pyridinyl)-6-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 138536192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).