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

C21H32N4 — CID 10308805

IUPACN-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(CC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C21H32N4/c1-7-11-24(8-2)21-18-10-9-12-25(20(18)22-23(21)6)19-16(4)13-15(3)14-17(19)5/h13-14H,7-12H2,1-6H3
InChIKeyJSAHKRZYXZZXTC-UHFFFAOYSA-N
MW340.52 g/mol
LogP4.67
Rot. Bonds5

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

N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 10308805) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID10308805
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC NameN-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(CC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C21H32N4/c1-7-11-24(8-2)21-18-10-9-12-25(20(18)22-23(21)6)19-16(4)13-15(3)14-17(19)5/h13-14H,7-12H2,1-6H3
InChIKeyJSAHKRZYXZZXTC-UHFFFAOYSA-N
XLogP4.67
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 10308805) is N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCCN(CC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is JSAHKRZYXZZXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-7-11-24(8-2)21-18-10-9-12-25(20(18)22-23(21)6)19-16(4)13-15(3)14-17(19)5/h13-14H,7-12H2,1-6H3.
What are the key properties of N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
N-ethyl-2-methyl-N-propyl-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 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-propyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 10308805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).