2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

C24H33N5 — CID 23527202

IUPAC2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(Cc1ccc[nH]1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C24H33N5/c1-6-12-28(16-20-9-7-11-25-20)24-21-10-8-13-29(23(21)26-27(24)5)22-18(3)14-17(2)15-19(22)4/h7,9,11,14-15,25H,6,8,10,12-13,16H2,1-5H3
InChIKeyGTJHXWHTOWWTLB-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.17
Rot. Bonds6

About 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine

2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 23527202) has the molecular formula C24H33N5 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID23527202
Molecular FormulaC24H33N5
Molecular Weight391.56 g/mol
Exact Mass391.27
IUPAC Name2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCN(Cc1ccc[nH]1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C24H33N5/c1-6-12-28(16-20-9-7-11-25-20)24-21-10-8-13-29(23(21)26-27(24)5)22-18(3)14-17(2)15-19(22)4/h7,9,11,14-15,25H,6,8,10,12-13,16H2,1-5H3
InChIKeyGTJHXWHTOWWTLB-UHFFFAOYSA-N
XLogP5.17
TPSA40.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 23527202) is 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-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-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCCN(Cc1ccc[nH]1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GTJHXWHTOWWTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5/c1-6-12-28(16-20-9-7-11-25-20)24-21-10-8-13-29(23(21)26-27(24)5)22-18(3)14-17(2)15-19(22)4/h7,9,11,14-15,25H,6,8,10,12-13,16H2,1-5H3.
What are the key properties of 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 391.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-N-(1H-pyrrol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 23527202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).