1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H32N6O — CID 136681321

IUPAC1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H]1CCCCN1CCCCNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C19H32N6O/c1-14-9-5-7-11-24(14)12-8-6-10-20-18-22-16-15(17(26)23-18)13-21-25(16)19(2,3)4/h13-14H,5-12H2,1-4H3,(H2,20,22,23,26)/t14-/m0/s1
InChIKeyPAOAMDDJBCGKDG-AWEZNQCLSA-N
MW360.51 g/mol
LogP2.94
Rot. Bonds6

About 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136681321) has the molecular formula C19H32N6O and a molecular weight of 360.51 g/mol. Its IUPAC name is 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136681321
Molecular FormulaC19H32N6O
Molecular Weight360.51 g/mol
Exact Mass360.26
IUPAC Name1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@H]1CCCCN1CCCCNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C19H32N6O/c1-14-9-5-7-11-24(14)12-8-6-10-20-18-22-16-15(17(26)23-18)13-21-25(16)19(2,3)4/h13-14H,5-12H2,1-4H3,(H2,20,22,23,26)/t14-/m0/s1
InChIKeyPAOAMDDJBCGKDG-AWEZNQCLSA-N
XLogP2.94
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-6-[4-(4-methylpiperidin-1-yl)butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261164
1-tert-butyl-6-(3-cyclohexylpropylamino)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261091
1-tert-butyl-6-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261036
1-tert-butyl-6-[(4-methylcycloheptyl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137267771
1-tert-butyl-6-[3-[4-(3-methylphenyl)piperazin-1-yl]propylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261058
N-tert-butyl-2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 137260856
1-tert-butyl-6-[2-(2,2,2-trifluoroethoxy)ethylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260973
1-tert-butyl-6-[(1-methoxycyclobutyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273788
N-[3-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]phenyl]cyclohexanecarboxamide
CID 137261469
1-tert-butyl-6-[(1-prop-2-enylpiperidin-4-yl)amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137275173
1-tert-butyl-6-[(4-ethylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261527
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136681321) is 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@H]1CCCCN1CCCCNc1nc2c(cnn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PAOAMDDJBCGKDG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H32N6O/c1-14-9-5-7-11-24(14)12-8-6-10-20-18-22-16-15(17(26)23-18)13-21-25(16)19(2,3)4/h13-14H,5-12H2,1-4H3,(H2,20,22,23,26)/t14-/m0/s1.
What are the key properties of 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 360.51 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[4-[(2S)-2-methylpiperidin-1-yl]butylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136681321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).