N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine

C32H35N5O2 — CID 11656560

IUPACN-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCCn4ccnc4)c23)cc1
InChIInChI=1S/C32H35N5O2/c1-3-8-25(9-4-1)29-30-28(34-15-7-20-37-21-17-33-24-37)14-16-35-32(30)39-31(29)26-10-12-27(13-11-26)38-23-22-36-18-5-2-6-19-36/h1,3-4,8-14,16-17,21,24H,2,5-7,15,18-20,22-23H2,(H,34,35)
InChIKeyJZVXAFREQFUEDW-UHFFFAOYSA-N
MW521.67 g/mol
LogP6.73
Rot. Bonds11

About N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine

N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine (PubChem CID 11656560) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine
PubChem CID11656560
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC NameN-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine
SMILESc1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCCn4ccnc4)c23)cc1
InChIInChI=1S/C32H35N5O2/c1-3-8-25(9-4-1)29-30-28(34-15-7-20-37-21-17-33-24-37)14-16-35-32(30)39-31(29)26-10-12-27(13-11-26)38-23-22-36-18-5-2-6-19-36/h1,3-4,8-14,16-17,21,24H,2,5-7,15,18-20,22-23H2,(H,34,35)
InChIKeyJZVXAFREQFUEDW-UHFFFAOYSA-N
XLogP6.73
TPSA68.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine (CID 11656560) is N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine is c1ccc(-c2c(-c3ccc(OCCN4CCCCC4)cc3)oc3nccc(NCCCn4ccnc4)c23)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
The InChIKey is JZVXAFREQFUEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-3-8-25(9-4-1)29-30-28(34-15-7-20-37-21-17-33-24-37)14-16-35-32(30)39-31(29)26-10-12-27(13-11-26)38-23-22-36-18-5-2-6-19-36/h1,3-4,8-14,16-17,21,24H,2,5-7,15,18-20,22-23H2,(H,34,35).
What are the key properties of N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine?
N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine has a molecular weight of 521.67 g/mol, XLogP of 6.73, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 11656560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).