4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide

C20H26N6O2 — CID 146233363

IUPAC4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCCCC(C)n1nc(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc21
InChIInChI=1S/C20H26N6O2/c1-4-5-6-13(2)26-19-16(18(21)22-12-23-19)17(25-26)20(27)24-15-9-7-14(8-10-15)11-28-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,27)(H2,21,22,23)
InChIKeyWEARTKFHIQUSER-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.56
Rot. Bonds8

About 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide

4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 146233363) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID146233363
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCCCC(C)n1nc(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc21
InChIInChI=1S/C20H26N6O2/c1-4-5-6-13(2)26-19-16(18(21)22-12-23-19)17(25-26)20(27)24-15-9-7-14(8-10-15)11-28-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,27)(H2,21,22,23)
InChIKeyWEARTKFHIQUSER-UHFFFAOYSA-N
XLogP3.56
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 146233363) is 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide is CCCCC(C)n1nc(C(=O)Nc2ccc(COC)cc2)c2c(N)ncnc21.
What is the InChIKey of 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is WEARTKFHIQUSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-4-5-6-13(2)26-19-16(18(21)22-12-23-19)17(25-26)20(27)24-15-9-7-14(8-10-15)11-28-3/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,27)(H2,21,22,23).
What are the key properties of 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-hexan-2-yl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 146233363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).