5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide

C23H19N5O4 — CID 162371933

IUPAC5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3cc(C4=CCNCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C23H19N5O4/c29-23(20-5-6-22(32-20)28(30)31)26-18-3-1-16(2-4-18)19-14-25-21-13-17(9-12-27(19)21)15-7-10-24-11-8-15/h1-7,9,12-14,24H,8,10-11H2,(H,26,29)
InChIKeyCMVDOFFRPTYZID-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.13
Rot. Bonds5

About 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide

5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide (PubChem CID 162371933) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide
PubChem CID162371933
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3cc(C4=CCNCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C23H19N5O4/c29-23(20-5-6-22(32-20)28(30)31)26-18-3-1-16(2-4-18)19-14-25-21-13-17(9-12-27(19)21)15-7-10-24-11-8-15/h1-7,9,12-14,24H,8,10-11H2,(H,26,29)
InChIKeyCMVDOFFRPTYZID-UHFFFAOYSA-N
XLogP4.13
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
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-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide (CID 162371933) is 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(-c2cnc3cc(C4=CCNCC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is CMVDOFFRPTYZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c29-23(20-5-6-22(32-20)28(30)31)26-18-3-1-16(2-4-18)19-14-25-21-13-17(9-12-27(19)21)15-7-10-24-11-8-15/h1-7,9,12-14,24H,8,10-11H2,(H,26,29).
What are the key properties of 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide?
5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[4-[7-(1,2,3,6-tetrahydropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 162371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).