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

C23H31N5S — CID 69472854

IUPAC2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCc1csc(CNc2c3c(nn2C)N(c2c(C)cc(C)cc2C)CCC3)n1
InChIInChI=1S/C23H31N5S/c1-6-8-18-14-29-20(25-18)13-24-22-19-9-7-10-28(23(19)26-27(22)5)21-16(3)11-15(2)12-17(21)4/h11-12,14,24H,6-10,13H2,1-5H3
InChIKeyPIUHOFZNVFAUFM-UHFFFAOYSA-N
MW409.60 g/mol
LogP5.45
Rot. Bonds6

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

2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 69472854) has the molecular formula C23H31N5S and a molecular weight of 409.60 g/mol. Its IUPAC name is 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID69472854
Molecular FormulaC23H31N5S
Molecular Weight409.60 g/mol
Exact Mass409.23
IUPAC Name2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCCc1csc(CNc2c3c(nn2C)N(c2c(C)cc(C)cc2C)CCC3)n1
InChIInChI=1S/C23H31N5S/c1-6-8-18-14-29-20(25-18)13-24-22-19-9-7-10-28(23(19)26-27(22)5)21-16(3)11-15(2)12-17(21)4/h11-12,14,24H,6-10,13H2,1-5H3
InChIKeyPIUHOFZNVFAUFM-UHFFFAOYSA-N
XLogP5.45
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.60
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-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 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 69472854) is 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-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-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCCc1csc(CNc2c3c(nn2C)N(c2c(C)cc(C)cc2C)CCC3)n1.
What is the InChIKey of 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is PIUHOFZNVFAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5S/c1-6-8-18-14-29-20(25-18)13-24-22-19-9-7-10-28(23(19)26-27(22)5)21-16(3)11-15(2)12-17(21)4/h11-12,14,24H,6-10,13H2,1-5H3.
What are the key properties of 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 409.60 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propyl-1,3-thiazol-2-yl)methyl]-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 69472854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).