7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine

C26H24Cl2F2N4O2 — CID 90910268

IUPAC7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine
SMILESCC(Oc1c(N)ncc2c(-c3ccc(N4CCN(C)CC4)cc3)coc12)c1c(Cl)c(F)cc(F)c1Cl
InChIInChI=1S/C26H24Cl2F2N4O2/c1-14(21-22(27)19(29)11-20(30)23(21)28)36-25-24-17(12-32-26(25)31)18(13-35-24)15-3-5-16(6-4-15)34-9-7-33(2)8-10-34/h3-6,11-14H,7-10H2,1-2H3,(H2,31,32)
InChIKeyAXBYUYZWNJVGPN-UHFFFAOYSA-N
MW533.41 g/mol
LogP6.55
Rot. Bonds5

About 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine

7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine (PubChem CID 90910268) has the molecular formula C26H24Cl2F2N4O2 and a molecular weight of 533.41 g/mol. Its IUPAC name is 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound Name7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine
PubChem CID90910268
Molecular FormulaC26H24Cl2F2N4O2
Molecular Weight533.41 g/mol
Exact Mass532.12
IUPAC Name7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine
SMILESCC(Oc1c(N)ncc2c(-c3ccc(N4CCN(C)CC4)cc3)coc12)c1c(Cl)c(F)cc(F)c1Cl
InChIInChI=1S/C26H24Cl2F2N4O2/c1-14(21-22(27)19(29)11-20(30)23(21)28)36-25-24-17(12-32-26(25)31)18(13-35-24)15-3-5-16(6-4-15)34-9-7-33(2)8-10-34/h3-6,11-14H,7-10H2,1-2H3,(H2,31,32)
InChIKeyAXBYUYZWNJVGPN-UHFFFAOYSA-N
XLogP6.55
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.41
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[5-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]thiophen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 76618524
[3-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]phenyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 76618412
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-(1H-pyrrol-2-yl)furo[3,2-c]pyridin-6-amine
CID 76618458
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]furo[3,2-c]pyridin-6-amine
CID 76618376
5-[6-amino-7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]thiophene-3-carbaldehyde
CID 88904847
7-[2-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-(6-piperazin-1-yl-3-pyridinyl)furo[3,2-c]pyridin-6-amine
CID 87386039
[4-[6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-piperidin-2-ylmethanone
CID 76618270
7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)furo[3,2-c]pyridin-6-amine
CID 76618476
1-[2-[6-amino-7-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]furo[3,2-c]pyridin-3-yl]-4-carbamoylphenyl]-2-(dimethylamino)ethanesulfonic acid
CID 87387000
6-amino-7-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[2-(dimethylamino)ethyl]furo[3,2-c]pyridine-3-carboxamide
CID 76618468
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[3-(4-methylpiperazin-1-yl)but-1-ynyl]pyridin-2-amine
CID 72706720
3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)pyridin-2-amine
CID 73053925

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine?
The IUPAC name of 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine (CID 90910268) is 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine.
What is the SMILES notation for 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine?
The canonical SMILES for 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine is CC(Oc1c(N)ncc2c(-c3ccc(N4CCN(C)CC4)cc3)coc12)c1c(Cl)c(F)cc(F)c1Cl.
What is the InChIKey of 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine?
The InChIKey is AXBYUYZWNJVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2F2N4O2/c1-14(21-22(27)19(29)11-20(30)23(21)28)36-25-24-17(12-32-26(25)31)18(13-35-24)15-3-5-16(6-4-15)34-9-7-33(2)8-10-34/h3-6,11-14H,7-10H2,1-2H3,(H2,31,32).
What are the key properties of 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine?
7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine has a molecular weight of 533.41 g/mol, XLogP of 6.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2,6-dichloro-3,5-difluorophenyl)ethoxy]-3-[4-(4-methylpiperazin-1-yl)phenyl]furo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 90910268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).