methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate

C13H17N5O2 — CID 19089876

IUPACmethyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2nc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C13H17N5O2/c1-17-5-7-18(8-6-17)10-4-3-9-11(13(19)20-2)15-16-12(9)14-10/h3-4H,5-8H2,1-2H3,(H,14,15,16)
InChIKeyUPOSQJPSWHGMQF-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.50
Rot. Bonds2

About methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate

methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate (PubChem CID 19089876) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
PubChem CID19089876
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Namemethyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2nc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C13H17N5O2/c1-17-5-7-18(8-6-17)10-4-3-9-11(13(19)20-2)15-16-12(9)14-10/h3-4H,5-8H2,1-2H3,(H,14,15,16)
InChIKeyUPOSQJPSWHGMQF-UHFFFAOYSA-N
XLogP0.50
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
methyl 4-[[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]benzoate
CID 90654773
methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
methyl 1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911269
tert-butyl 6-fluoro-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 7127829
1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 14140174
Methyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911270
Methyl 1H-pyrazolo(3,4-b)pyridine-6-carboxylate
CID 92135507
methyl 3-bromo-1H-pyrazolo(3,4-b)pyridine-6-carboxylate
CID 167738537
6-methyl-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 177800121
methyl 5-[6-(trans-3-aminocyclobutyl)-2-(methoxymethyl)-4-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate dihydrochloride
CID 91774340

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate (CID 19089876) is methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate is COC(=O)c1[nH]nc2nc(N3CCN(C)CC3)ccc12.
What is the InChIKey of methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
The InChIKey is UPOSQJPSWHGMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-17-5-7-18(8-6-17)10-4-3-9-11(13(19)20-2)15-16-12(9)14-10/h3-4H,5-8H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate?
methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 19089876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).