6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H26N6O — CID 137275125

IUPAC6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)N1CCC(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H26N6O/c1-20(2,3)25-11-9-14(10-12-25)22-19-23-17-16(18(27)24-19)13-21-26(17)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H2,22,23,24,27)
InChIKeyBFHSMZGATHAWLP-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.78
Rot. Bonds3

About 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275125) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275125
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)N1CCC(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C20H26N6O/c1-20(2,3)25-11-9-14(10-12-25)22-19-23-17-16(18(27)24-19)13-21-26(17)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H2,22,23,24,27)
InChIKeyBFHSMZGATHAWLP-UHFFFAOYSA-N
XLogP2.78
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

propan-2-yl 4-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]piperidine-1-carboxylate
CID 137263059
6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136783626
6-[[(1S)-cyclohex-3-en-1-yl]amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136766338
methyl 3-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]azetidine-1-carboxylate
CID 137265043
6-(cyclopropylmethylamino)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 167962667
6-[(2-pentan-3-yloxan-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273800
6-[(2-cyclohexyl-2-hydroxyethyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136528482
6-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274788
1-tert-butyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260834
6-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137270652
4-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]cyclohexane-1-carboxylic acid
CID 137061318
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275297

Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275125) is 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)N1CCC(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1.
What is the InChIKey of 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BFHSMZGATHAWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-20(2,3)25-11-9-14(10-12-25)22-19-23-17-16(18(27)24-19)13-21-26(17)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3,(H2,22,23,24,27).
What are the key properties of 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.47 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butylpiperidin-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).