2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

C21H32N4 — CID 10236852

IUPAC2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCC(CC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C21H32N4/c1-7-17(8-2)22-20-18-10-9-11-25(21(18)23-24(20)6)19-15(4)12-14(3)13-16(19)5/h12-13,17,22H,7-11H2,1-6H3
InChIKeyDZBMNDCYDWBXEH-UHFFFAOYSA-N
MW340.52 g/mol
LogP5.03
Rot. Bonds5

About 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 10236852) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID10236852
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCC(CC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C21H32N4/c1-7-17(8-2)22-20-18-10-9-11-25(21(18)23-24(20)6)19-15(4)12-14(3)13-16(19)5/h12-13,17,22H,7-11H2,1-6H3
InChIKeyDZBMNDCYDWBXEH-UHFFFAOYSA-N
XLogP5.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 10236852) is 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCC(CC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is DZBMNDCYDWBXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-7-17(8-2)22-20-18-10-9-11-25(21(18)23-24(20)6)19-15(4)12-14(3)13-16(19)5/h12-13,17,22H,7-11H2,1-6H3.
What are the key properties of 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 340.52 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-3-yl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 10236852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).