1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H20N6O — CID 162662322

IUPAC1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)c2c1
InChIInChI=1S/C18H20N6O/c1-18(2,3)24-17-14(16(19)21-9-22-17)15(23-24)12-8-20-13-6-5-10(25-4)7-11(12)13/h5-9,20H,1-4H3,(H2,19,21,22)
InChIKeySGGVDFRZQOVYHZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.32
Rot. Bonds2

About 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 162662322) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID162662322
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)c2c1
InChIInChI=1S/C18H20N6O/c1-18(2,3)24-17-14(16(19)21-9-22-17)15(23-24)12-8-20-13-6-5-10(25-4)7-11(12)13/h5-9,20H,1-4H3,(H2,19,21,22)
InChIKeySGGVDFRZQOVYHZ-UHFFFAOYSA-N
XLogP3.32
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

Mak-683
CID 121412508
Acrizanib
CID 59394698
Torkinib
CID 135565635
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
N-(3-bromophenyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine
CID 5328397
5-[(1E)-(ethoxyimino)methyl]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 16066844
6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
5-[(1E)-(methoxyimino)methyl]-6-[(3-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646050
6-[(4-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646051
6-[(6-fluoro-1H-indol-5-yl)oxy]-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646052
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(propoxyimino)methyl]pyrimidin-4-amine
CID 23646053

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 162662322) is 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc2[nH]cc(-c3nn(C(C)(C)C)c4ncnc(N)c34)c2c1.
What is the InChIKey of 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SGGVDFRZQOVYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-18(2,3)24-17-14(16(19)21-9-22-17)15(23-24)12-8-20-13-6-5-10(25-4)7-11(12)13/h5-9,20H,1-4H3,(H2,19,21,22).
What are the key properties of 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 336.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(5-methoxy-1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162662322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).