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

C21H21N5O — CID 171471589

IUPAC3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
SMILESCn1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)n1
InChIInChI=1S/C21H21N5O/c1-25-9-6-19(24-25)18-14-27-20-12-16(13-23-21(18)20)15-2-4-17(5-3-15)26-10-7-22-8-11-26/h2-6,9,12-14,22H,7-8,10-11H2,1H3
InChIKeyOSOLQKLLJZQHJM-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.30
Rot. Bonds3

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

3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine (PubChem CID 171471589) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
PubChem CID171471589
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
SMILESCn1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)n1
InChIInChI=1S/C21H21N5O/c1-25-9-6-19(24-25)18-14-27-20-12-16(13-23-21(18)20)15-2-4-17(5-3-15)26-10-7-22-8-11-26/h2-6,9,12-14,22H,7-8,10-11H2,1H3
InChIKeyOSOLQKLLJZQHJM-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

6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine
CID 171471559
6-(4-piperazin-1-ylphenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]furo[3,2-b]pyridine
CID 171471473
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
CID 171512494
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-methylsulfanylphenyl)furo[3,2-b]pyridine
CID 171471530
[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine
CID 171471594
3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzaldehyde
CID 171471470
[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea
CID 171512576
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]furo[3,2-b]pyridine
CID 171471479
tert-butyl 4-[4-[3-[3-(trifluoromethyl)phenyl]furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471468
tert-butyl 4-[4-[3-(3-tert-butylsulfanylphenyl)furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471580
2-[5-(4-piperazin-1-ylphenyl)pyrimidin-2-yl]-1,3-oxazole
CID 167842873
1-[4-(4-ethylphenyl)phenyl]piperazine
CID 82092038

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine (CID 171471589) is 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine is Cn1ccc(-c2coc3cc(-c4ccc(N5CCNCC5)cc4)cnc23)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
The InChIKey is OSOLQKLLJZQHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-25-9-6-19(24-25)18-14-27-20-12-16(13-23-21(18)20)15-2-4-17(5-3-15)26-10-7-22-8-11-26/h2-6,9,12-14,22H,7-8,10-11H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine?
3-(1-methylpyrazol-3-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-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine is sourced from PubChem (CID 171471589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).