5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide

C22H19N5O4 — CID 162371924

IUPAC5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3cc(N4CCCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C22H19N5O4/c28-22(19-7-8-21(31-19)27(29)30)24-16-5-3-15(4-6-16)18-14-23-20-13-17(9-12-26(18)20)25-10-1-2-11-25/h3-9,12-14H,1-2,10-11H2,(H,24,28)
InChIKeyQMWFJUDUNYENFF-UHFFFAOYSA-N
MW417.43 g/mol
LogP4.36
Rot. Bonds5

About 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide

5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide (PubChem CID 162371924) has the molecular formula C22H19N5O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide
PubChem CID162371924
Molecular FormulaC22H19N5O4
Molecular Weight417.43 g/mol
Exact Mass417.14
IUPAC Name5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3cc(N4CCCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C22H19N5O4/c28-22(19-7-8-21(31-19)27(29)30)24-16-5-3-15(4-6-16)18-14-23-20-13-17(9-12-26(18)20)25-10-1-2-11-25/h3-9,12-14H,1-2,10-11H2,(H,24,28)
InChIKeyQMWFJUDUNYENFF-UHFFFAOYSA-N
XLogP4.36
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide (CID 162371924) is 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2cnc3cc(N4CCCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is QMWFJUDUNYENFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O4/c28-22(19-7-8-21(31-19)27(29)30)24-16-5-3-15(4-6-16)18-14-23-20-13-17(9-12-26(18)20)25-10-1-2-11-25/h3-9,12-14H,1-2,10-11H2,(H,24,28).
What are the key properties of 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide?
5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-(7-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 162371924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).