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

C22H34N4 — CID 10286870

IUPAC2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(CCC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C22H34N4/c1-7-11-25(12-8-2)22-19-10-9-13-26(21(19)23-24(22)6)20-17(4)14-16(3)15-18(20)5/h14-15H,7-13H2,1-6H3
InChIKeyQBHGZNAWJNVBKR-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.06
Rot. Bonds6

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

2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 10286870) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID10286870
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(CCC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C22H34N4/c1-7-11-25(12-8-2)22-19-10-9-13-26(21(19)23-24(22)6)20-17(4)14-16(3)15-18(20)5/h14-15H,7-13H2,1-6H3
InChIKeyQBHGZNAWJNVBKR-UHFFFAOYSA-N
XLogP5.06
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 10286870) is 2-methyl-N,N-dipropyl-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,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCCN(CCC)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is QBHGZNAWJNVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-7-11-25(12-8-2)22-19-10-9-13-26(21(19)23-24(22)6)20-17(4)14-16(3)15-18(20)5/h14-15H,7-13H2,1-6H3.
What are the key properties of 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 354.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N-dipropyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 10286870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).