ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate

C16H24N4O2 — CID 14590509

IUPACethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(cnn2CCC(C)CC)c1N
InChIInChI=1S/C16H24N4O2/c1-5-10(3)7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-6-2/h9-10H,5-8H2,1-4H3,(H2,17,19)
InChIKeyYWSGZSUSPFMIIN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.93
Rot. Bonds6

About ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 14590509) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID14590509
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nameethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc2c(cnn2CCC(C)CC)c1N
InChIInChI=1S/C16H24N4O2/c1-5-10(3)7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-6-2/h9-10H,5-8H2,1-4H3,(H2,17,19)
InChIKeyYWSGZSUSPFMIIN-UHFFFAOYSA-N
XLogP2.93
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 14590509) is ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1c(C)nc2c(cnn2CCC(C)CC)c1N.
What is the InChIKey of ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is YWSGZSUSPFMIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-5-10(3)7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-6-2/h9-10H,5-8H2,1-4H3,(H2,17,19).
What are the key properties of ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-1-(3-methylpentyl)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 14590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).