1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C25H25N7O — CID 137264622

IUPAC1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc21
InChIInChI=1S/C25H25N7O/c1-25(2,3)32-22-20(15-27-32)23(33)29-24(28-22)26-14-18-16-31(19-12-8-5-9-13-19)30-21(18)17-10-6-4-7-11-17/h4-13,15-16H,14H2,1-3H3,(H2,26,28,29,33)
InChIKeyPKMHMGFDPBBXQS-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.34
Rot. Bonds5

About 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137264622) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137264622
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)[nH]c(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc21
InChIInChI=1S/C25H25N7O/c1-25(2,3)32-22-20(15-27-32)23(33)29-24(28-22)26-14-18-16-31(19-12-8-5-9-13-19)30-21(18)17-10-6-4-7-11-17/h4-13,15-16H,14H2,1-3H3,(H2,26,28,29,33)
InChIKeyPKMHMGFDPBBXQS-UHFFFAOYSA-N
XLogP4.34
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

1-tert-butyl-6-[1-(1-phenyltriazol-4-yl)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270739
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-(2-phenylsulfanylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275533
1-tert-butyl-6-[(2-hydroxy-1-phenylethyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137272755
1-tert-butyl-6-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261669
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-amine
CID 31536512
1-tert-butyl-6-(1,2-diphenylethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269837
4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 137261014
1-tert-butyl-6-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264589
1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264543
1-tert-butyl-6-[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261300
2-[6-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137261742

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137264622) is 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)[nH]c(NCc3cn(-c4ccccc4)nc3-c3ccccc3)nc21.
What is the InChIKey of 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PKMHMGFDPBBXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-25(2,3)32-22-20(15-27-32)23(33)29-24(28-22)26-14-18-16-31(19-12-8-5-9-13-19)30-21(18)17-10-6-4-7-11-17/h4-13,15-16H,14H2,1-3H3,(H2,26,28,29,33).
What are the key properties of 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 439.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[(1,3-diphenylpyrazol-4-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137264622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).