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

C20H28N8O — CID 137260949

IUPAC1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1CCN(c2ccc(CNc3nc4c(cnn4C(C)(C)C)c(=O)[nH]3)cn2)CC1
InChIInChI=1S/C20H28N8O/c1-20(2,3)28-17-15(13-23-28)18(29)25-19(24-17)22-12-14-5-6-16(21-11-14)27-9-7-26(4)8-10-27/h5-6,11,13H,7-10,12H2,1-4H3,(H2,22,24,25,29)
InChIKeyYGLFUHXHFILCHR-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.63
Rot. Bonds4

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

1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137260949) has the molecular formula C20H28N8O and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137260949
Molecular FormulaC20H28N8O
Molecular Weight396.50 g/mol
Exact Mass396.24
IUPAC Name1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCN1CCN(c2ccc(CNc3nc4c(cnn4C(C)(C)C)c(=O)[nH]3)cn2)CC1
InChIInChI=1S/C20H28N8O/c1-20(2,3)28-17-15(13-23-28)18(29)25-19(24-17)22-12-14-5-6-16(21-11-14)27-9-7-26(4)8-10-27/h5-6,11,13H,7-10,12H2,1-4H3,(H2,22,24,25,29)
InChIKeyYGLFUHXHFILCHR-UHFFFAOYSA-N
XLogP1.63
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

1-tert-butyl-6-[(4-ethylphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261527
1-tert-butyl-6-[(6-propan-2-yloxy-3-pyridinyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261196
1-tert-butyl-6-[(4-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137260750
1-tert-butyl-6-[[6-(4-fluorophenoxy)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261233
1-tert-butyl-6-[(3,4-dimethoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264574
4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 137261014
4-[[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]-N-ethylbenzamide
CID 137261141
1-tert-butyl-6-[(4-ethoxy-3-methoxyphenyl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137261097
1-tert-butyl-6-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137263223
6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274972
2-tert-butyl-4-chloro-5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridazin-3-one
CID 49225795
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264504

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137260949) is 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CN1CCN(c2ccc(CNc3nc4c(cnn4C(C)(C)C)c(=O)[nH]3)cn2)CC1.
What is the InChIKey of 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YGLFUHXHFILCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8O/c1-20(2,3)28-17-15(13-23-28)18(29)25-19(24-17)22-12-14-5-6-16(21-11-14)27-9-7-26(4)8-10-27/h5-6,11,13H,7-10,12H2,1-4H3,(H2,22,24,25,29).
What are the key properties of 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 396.50 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137260949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).