3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine

C21H21N5O — CID 171471552

IUPAC3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
SMILESCn1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cn1
InChIInChI=1S/C21H21N5O/c1-25-13-17(12-24-25)19-14-27-20-10-16(11-23-21(19)20)15-2-4-18(5-3-15)26-8-6-22-7-9-26/h2-5,10-14,22H,6-9H2,1H3
InChIKeyAJIRLUWVMCLWFU-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.30
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine

3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine (PubChem CID 171471552) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
PubChem CID171471552
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
SMILESCn1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cn1
InChIInChI=1S/C21H21N5O/c1-25-13-17(12-24-25)19-14-27-20-10-16(11-23-21(19)20)15-2-4-18(5-3-15)26-8-6-22-7-9-26/h2-5,10-14,22H,6-9H2,1H3
InChIKeyAJIRLUWVMCLWFU-UHFFFAOYSA-N
XLogP3.30
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 46225540
5-(1-Methyl-1H-pyrazol-4-yl)-3-(3-(pyridin-4-yl)phenyl)furo[3,2-b]pyridine
CID 155891794
6-(4-Piperazin-1-ylphenyl)-3-quinolin-4-ylfuro[3,2-b]pyridine
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3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
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3-[(2S,4S)-2-ethyloxan-4-yl]-6,12-bis(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
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(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine (CID 171471552) is 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine is Cn1cc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The InChIKey is AJIRLUWVMCLWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-13-17(12-24-25)19-14-27-20-10-16(11-23-21(19)20)15-2-4-18(5-3-15)26-8-6-22-7-9-26/h2-5,10-14,22H,6-9H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine has a molecular weight of 359.43 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 171471552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).