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

C20H24N6O2 — CID 134164067

IUPAC4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCOCc1ccc(NC(=O)c2nn(C3CCCCC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C20H24N6O2/c1-28-11-13-7-9-14(10-8-13)24-20(27)17-16-18(21)22-12-23-19(16)26(25-17)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,24,27)(H2,21,22,23)
InChIKeyGHDRODCTICLQEF-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.31
Rot. Bonds5

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

4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 134164067) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID134164067
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCOCc1ccc(NC(=O)c2nn(C3CCCCC3)c3ncnc(N)c23)cc1
InChIInChI=1S/C20H24N6O2/c1-28-11-13-7-9-14(10-8-13)24-20(27)17-16-18(21)22-12-23-19(16)26(25-17)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,24,27)(H2,21,22,23)
InChIKeyGHDRODCTICLQEF-UHFFFAOYSA-N
XLogP3.31
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 134164067) is 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide is COCc1ccc(NC(=O)c2nn(C3CCCCC3)c3ncnc(N)c23)cc1.
What is the InChIKey of 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is GHDRODCTICLQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-11-13-7-9-14(10-8-13)24-20(27)17-16-18(21)22-12-23-19(16)26(25-17)15-5-3-2-4-6-15/h7-10,12,15H,2-6,11H2,1H3,(H,24,27)(H2,21,22,23).
What are the key properties of 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide?
4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohexyl-N-[4-(methoxymethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 134164067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).