propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate

C16H24N4O2 — CID 14590523

IUPACpropan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OC(C)C)c(C)nc21
InChIInChI=1S/C16H24N4O2/c1-5-6-7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-10(2)3/h9-10H,5-8H2,1-4H3,(H2,17,19)
InChIKeyYBWVWTQZZOFOIK-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.08
Rot. Bonds6

About propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate

propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 14590523) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID14590523
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Namepropan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OC(C)C)c(C)nc21
InChIInChI=1S/C16H24N4O2/c1-5-6-7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-10(2)3/h9-10H,5-8H2,1-4H3,(H2,17,19)
InChIKeyYBWVWTQZZOFOIK-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Etazolate
CID 3277
Etazolate Hydrochloride
CID 37274
Tracazolate
CID 5522
Cartazolate
CID 37015
Ridine-5-carboxylic acid ethyl ester
CID 14590509
Pyrazolo pyridine, 11
CID 44246252
Ethyl 7-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754764
1-Ethyl-4-(N''-isopropylidene-hydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester
CID 53694473
ethyl 4-[(4-methoxybenzyl)amino]-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 1481686
ethyl 3-cyclopropyl-1-methyl-4-morpholino-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 2818961
ethyl 4-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
CID 3788405
Prop-2-ynyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 9972017

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 14590523) is propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCCCn1ncc2c(N)c(C(=O)OC(C)C)c(C)nc21.
What is the InChIKey of propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is YBWVWTQZZOFOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-5-6-7-8-20-15-12(9-18-20)14(17)13(11(4)19-15)16(21)22-10(2)3/h9-10H,5-8H2,1-4H3,(H2,17,19).
What are the key properties of propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 14590523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).