ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate

C20H23N5O2 — CID 162647036

IUPACethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(C)CC1
InChIInChI=1S/C20H23N5O2/c1-3-27-20(26)17-13-21-19-16(18(17)24-11-9-23(2)10-12-24)14-22-25(19)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyVOWCLRXFOTVHIO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.35
Rot. Bonds4

About ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 162647036) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID162647036
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Nameethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(C)CC1
InChIInChI=1S/C20H23N5O2/c1-3-27-20(26)17-13-21-19-16(18(17)24-11-9-23(2)10-12-24)14-22-25(19)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyVOWCLRXFOTVHIO-UHFFFAOYSA-N
XLogP2.35
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 162647036) is ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1N1CCN(C)CC1.
What is the InChIKey of ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is VOWCLRXFOTVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-27-20(26)17-13-21-19-16(18(17)24-11-9-23(2)10-12-24)14-22-25(19)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 365.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methylpiperazin-1-yl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 162647036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).