(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

C16H20N6O5 — CID 67695699

IUPAC(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc3c(C(N)=O)[nH]nc3n2)CC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C12H16N6O.C4H4O4/c1-17-4-6-18(7-5-17)9-3-2-8-10(11(13)19)15-16-12(8)14-9;5-3(6)1-2-4(7)8/h2-3H,4-7H2,1H3,(H2,13,19)(H,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyAXYJHCQBAMQIAB-BTJKTKAUSA-N
MW376.37 g/mol
LogP-0.48
Rot. Bonds4

About (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide

(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (PubChem CID 67695699) has the molecular formula C16H20N6O5 and a molecular weight of 376.37 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
PubChem CID67695699
Molecular FormulaC16H20N6O5
Molecular Weight376.37 g/mol
Exact Mass376.15
IUPAC Name(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc3c(C(N)=O)[nH]nc3n2)CC1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C12H16N6O.C4H4O4/c1-17-4-6-18(7-5-17)9-3-2-8-10(11(13)19)15-16-12(8)14-9;5-3(6)1-2-4(7)8/h2-3H,4-7H2,1H3,(H2,13,19)(H,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyAXYJHCQBAMQIAB-BTJKTKAUSA-N
XLogP-0.48
TPSA165.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide with MolForge

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Related Compounds

4-(3-iodo-2H-pyrazolo[3,4-b]pyridin-6-yl)morpholine;methyl 6-morpholin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 162116947
6-pyrrolidin-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 164597709
3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]prop-2-enoic acid
CID 150280289
(Z)-but-2-enedioic acid;ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 126476747
1-(methylamino)-7-(4-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 70416203
but-2-enedioic acid;1-(6-cyclohexyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 68620387
(E)-but-2-enedioic acid;2-(4-methylpiperazin-1-yl)-4-propoxyquinazoline
CID 6449169
(E)-but-2-enedioic acid;1-(6-ethyl-4-thiophen-3-yl-2-pyridinyl)-4-methylpiperazine
CID 68620754
(E)-but-2-enedioic acid;2-piperazin-1-ylquinoline
CID 6507948
bis((Z)-but-2-enedioic acid);2-piperazin-1-ylquinoline
CID 6420043
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
2-[2-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]guanidine
CID 67337343

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The IUPAC name of (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide (CID 67695699) is (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide.
What is the SMILES notation for (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The canonical SMILES for (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is CN1CCN(c2ccc3c(C(N)=O)[nH]nc3n2)CC1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
The InChIKey is AXYJHCQBAMQIAB-BTJKTKAUSA-N. The full InChI is InChI=1S/C12H16N6O.C4H4O4/c1-17-4-6-18(7-5-17)9-3-2-8-10(11(13)19)15-16-12(8)14-9;5-3(6)1-2-4(7)8/h2-3H,4-7H2,1H3,(H2,13,19)(H,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide?
(Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide has a molecular weight of 376.37 g/mol, XLogP of -0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 67695699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).