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

C37H54N8O — CID 158275183

IUPACN-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCC(COC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.Cc1cc(C)c(N2CCCc3c2nn(C)c3N)c(C)c1
InChIInChI=1S/C21H32N4O.C16H22N4/c1-7-17(13-26-6)22-20-18-9-8-10-25(21(18)23-24(20)5)19-15(3)11-14(2)12-16(19)4;1-10-8-11(2)14(12(3)9-10)20-7-5-6-13-15(17)19(4)18-16(13)20/h11-12,17,22H,7-10,13H2,1-6H3;8-9H,5-7,17H2,1-4H3
InChIKeyGJNFVVTUCLPHAJ-UHFFFAOYSA-N
MW626.89 g/mol
LogP7.28
Rot. Bonds7

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

N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 158275183) has the molecular formula C37H54N8O and a molecular weight of 626.89 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID158275183
Molecular FormulaC37H54N8O
Molecular Weight626.89 g/mol
Exact Mass626.44
IUPAC NameN-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCCC(COC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.Cc1cc(C)c(N2CCCc3c2nn(C)c3N)c(C)c1
InChIInChI=1S/C21H32N4O.C16H22N4/c1-7-17(13-26-6)22-20-18-9-8-10-25(21(18)23-24(20)5)19-15(3)11-14(2)12-16(19)4;1-10-8-11(2)14(12(3)9-10)20-7-5-6-13-15(17)19(4)18-16(13)20/h11-12,17,22H,7-10,13H2,1-6H3;8-9H,5-7,17H2,1-4H3
InChIKeyGJNFVVTUCLPHAJ-UHFFFAOYSA-N
XLogP7.28
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.89
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-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 N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine (CID 158275183) is N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is CCC(COC)Nc1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2.Cc1cc(C)c(N2CCCc3c2nn(C)c3N)c(C)c1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is GJNFVVTUCLPHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.C16H22N4/c1-7-17(13-26-6)22-20-18-9-8-10-25(21(18)23-24(20)5)19-15(3)11-14(2)12-16(19)4;1-10-8-11(2)14(12(3)9-10)20-7-5-6-13-15(17)19(4)18-16(13)20/h11-12,17,22H,7-10,13H2,1-6H3;8-9H,5-7,17H2,1-4H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine?
N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 626.89 g/mol, XLogP of 7.28, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine;2-methyl-7-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 158275183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).