6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine

C25H29N5O — CID 171512514

IUPAC6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine
SMILESCCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1cnn(C)c1
InChIInChI=1S/C25H29N5O/c1-4-5-22-24(20-16-27-29(3)17-20)25-23(31-22)14-19(15-26-25)18-6-8-21(9-7-18)30-12-10-28(2)11-13-30/h6-9,14-17H,4-5,10-13H2,1-3H3
InChIKeyGGOWADGLISULSD-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.60
Rot. Bonds5

About 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine

6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine (PubChem CID 171512514) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine
PubChem CID171512514
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine
SMILESCCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1cnn(C)c1
InChIInChI=1S/C25H29N5O/c1-4-5-22-24(20-16-27-29(3)17-20)25-23(31-22)14-19(15-26-25)18-6-8-21(9-7-18)30-12-10-28(2)11-13-30/h6-9,14-17H,4-5,10-13H2,1-3H3
InChIKeyGGOWADGLISULSD-UHFFFAOYSA-N
XLogP4.60
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine?
The IUPAC name of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine (CID 171512514) is 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine.
What is the SMILES notation for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine?
The canonical SMILES for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine is CCCc1oc2cc(-c3ccc(N4CCN(C)CC4)cc3)cnc2c1-c1cnn(C)c1.
What is the InChIKey of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine?
The InChIKey is GGOWADGLISULSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-4-5-22-24(20-16-27-29(3)17-20)25-23(31-22)14-19(15-26-25)18-6-8-21(9-7-18)30-12-10-28(2)11-13-30/h6-9,14-17H,4-5,10-13H2,1-3H3.
What are the key properties of 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine?
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine has a molecular weight of 415.54 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylpiperazin-1-yl)phenyl]-3-(1-methylpyrazol-4-yl)-2-propylfuro[3,2-b]pyridine is sourced from PubChem (CID 171512514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).