2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

C28H32N4O3 — CID 11605267

IUPAC2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESCOCCOc1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H32N4O3/c1-33-19-20-34-23-9-7-22(8-10-23)27-25(21-5-3-2-4-6-21)26-24(11-12-31-28(26)35-27)30-15-18-32-16-13-29-14-17-32/h2-12,29H,13-20H2,1H3,(H,30,31)
InChIKeyKDIOUKSQVKOTGH-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.50
Rot. Bonds10

About 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine

2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 11605267) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
PubChem CID11605267
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
SMILESCOCCOc1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H32N4O3/c1-33-19-20-34-23-9-7-22(8-10-23)27-25(21-5-3-2-4-6-21)26-24(11-12-31-28(26)35-27)30-15-18-32-16-13-29-14-17-32/h2-12,29H,13-20H2,1H3,(H,30,31)
InChIKeyKDIOUKSQVKOTGH-UHFFFAOYSA-N
XLogP4.50
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-(2-piperazin-1-ylethyl)-2-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]furo[2,3-b]pyridin-4-amine
CID 11584482
3-[3-phenyl-4-(2-piperazin-1-ylethylamino)furo[2,3-b]pyridin-2-yl]benzaldehyde
CID 87801459
5-phenyl-N-(2-piperazin-1-ylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11684933
2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
CID 58608144
N-[2-(4-ethylpiperazin-1-yl)ethyl]-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11663866
2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine
CID 58608155
2-methoxy-2-methylpropane;4-[2-[[3-(1-methylthiopyran-3-yl)-2-[4-(2-morpholin-4-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]amino]ethyl]piperazine-1-carbaldehyde
CID 143349763
1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine
CID 68694122
5-(4-methoxyphenyl)-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 58603257
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-phenyl-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine;ethane
CID 143163768
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
2-[4-(2-methoxyethoxy)phenyl]-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119445229

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine (CID 11605267) is 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is COCCOc1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is KDIOUKSQVKOTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-33-19-20-34-23-9-7-22(8-10-23)27-25(21-5-3-2-4-6-21)26-24(11-12-31-28(26)35-27)30-15-18-32-16-13-29-14-17-32/h2-12,29H,13-20H2,1H3,(H,30,31).
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine?
2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 472.59 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11605267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).