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

C23H31N5OS — CID 23527212

IUPACN-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOCCN(Cc1nccs1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C23H31N5OS/c1-16-13-17(2)21(18(3)14-16)28-9-6-7-19-22(28)25-26(4)23(19)27(10-11-29-5)15-20-24-8-12-30-20/h8,12-14H,6-7,9-11,15H2,1-5H3
InChIKeyLCYWYOZMKWVEIG-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.54
Rot. Bonds7

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

N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 23527212) has the molecular formula C23H31N5OS and a molecular weight of 425.60 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID23527212
Molecular FormulaC23H31N5OS
Molecular Weight425.60 g/mol
Exact Mass425.22
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOCCN(Cc1nccs1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2
InChIInChI=1S/C23H31N5OS/c1-16-13-17(2)21(18(3)14-16)28-9-6-7-19-22(28)25-26(4)23(19)27(10-11-29-5)15-20-24-8-12-30-20/h8,12-14H,6-7,9-11,15H2,1-5H3
InChIKeyLCYWYOZMKWVEIG-UHFFFAOYSA-N
XLogP4.54
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 23527212) is N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is COCCN(Cc1nccs1)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is LCYWYOZMKWVEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5OS/c1-16-13-17(2)21(18(3)14-16)28-9-6-7-19-22(28)25-26(4)23(19)27(10-11-29-5)15-20-24-8-12-30-20/h8,12-14H,6-7,9-11,15H2,1-5H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 425.60 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-(1,3-thiazol-2-ylmethyl)-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 23527212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).