[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine

C25H26N4O — CID 171471594

IUPAC[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5cccc(CN)c5)coc4c3)cc2)CC1
InChIInChI=1S/C25H26N4O/c1-28-9-11-29(12-10-28)22-7-5-19(6-8-22)21-14-24-25(27-16-21)23(17-30-24)20-4-2-3-18(13-20)15-26/h2-8,13-14,16-17H,9-12,15,26H2,1H3
InChIKeyBIALLPYXVVWVFH-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.37
Rot. Bonds4

About [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine

[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine (PubChem CID 171471594) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine
PubChem CID171471594
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine
SMILESCN1CCN(c2ccc(-c3cnc4c(-c5cccc(CN)c5)coc4c3)cc2)CC1
InChIInChI=1S/C25H26N4O/c1-28-9-11-29(12-10-28)22-7-5-19(6-8-22)21-14-24-25(27-16-21)23(17-30-24)20-4-2-3-18(13-20)15-26/h2-8,13-14,16-17H,9-12,15,26H2,1H3
InChIKeyBIALLPYXVVWVFH-UHFFFAOYSA-N
XLogP4.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine?
The IUPAC name of [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine (CID 171471594) is [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine.
What is the SMILES notation for [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine?
The canonical SMILES for [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine is CN1CCN(c2ccc(-c3cnc4c(-c5cccc(CN)c5)coc4c3)cc2)CC1.
What is the InChIKey of [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine?
The InChIKey is BIALLPYXVVWVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-28-9-11-29(12-10-28)22-7-5-19(6-8-22)21-14-24-25(27-16-21)23(17-30-24)20-4-2-3-18(13-20)15-26/h2-8,13-14,16-17H,9-12,15,26H2,1H3.
What are the key properties of [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine?
[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine has a molecular weight of 398.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]methanamine is sourced from PubChem (CID 171471594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).