[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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Related Compounds

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]benzaldehyde
CID 171471470
6-[4-(4-methylpiperazin-1-yl)phenyl]-3-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]furo[3,2-b]pyridine
CID 171471479
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]benzonitrile
CID 171512494
[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-b]pyridin-3-yl]phenyl]urea
CID 171512576
6-(4-piperazin-1-ylphenyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]furo[3,2-b]pyridine
CID 171471473
6-(4-piperazin-1-ylphenyl)-3-[3-(trifluoromethoxy)phenyl]furo[3,2-b]pyridine
CID 171471559
tert-butyl 4-[4-[3-(3-tert-butylsulfanylphenyl)furo[3,2-b]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 171471580
3-(1-methylpyrazol-3-yl)-6-(4-piperazin-1-ylphenyl)furo[3,2-b]pyridine
CID 171471589
4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-2-propylfuro[3,2-b]pyridin-3-yl]benzamide
CID 171512541
N,N-dimethyl-1-[3-[3-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanamine
CID 145492462
[3-[5-(4-methylpiperazin-1-yl)pyrimidin-2-yl]phenyl]methanol
CID 59484860

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).