N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide

C25H24N6O4 — CID 162371925

IUPACN-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3cc(N4CCN(C5CC5)CC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C25H24N6O4/c32-25(22-7-8-24(35-22)31(33)34)27-18-3-1-17(2-4-18)21-16-26-23-15-20(9-10-30(21)23)29-13-11-28(12-14-29)19-5-6-19/h1-4,7-10,15-16,19H,5-6,11-14H2,(H,27,32)
InChIKeyRIQDUYFGWHSFDO-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide

N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 162371925) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID162371925
Molecular FormulaC25H24N6O4
Molecular Weight472.51 g/mol
Exact Mass472.19
IUPAC NameN-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2cnc3cc(N4CCN(C5CC5)CC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C25H24N6O4/c32-25(22-7-8-24(35-22)31(33)34)27-18-3-1-17(2-4-18)21-16-26-23-15-20(9-10-30(21)23)29-13-11-28(12-14-29)19-5-6-19/h1-4,7-10,15-16,19H,5-6,11-14H2,(H,27,32)
InChIKeyRIQDUYFGWHSFDO-UHFFFAOYSA-N
XLogP4.04
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide (CID 162371925) is N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide is O=C(Nc1ccc(-c2cnc3cc(N4CCN(C5CC5)CC4)ccn23)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is RIQDUYFGWHSFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c32-25(22-7-8-24(35-22)31(33)34)27-18-3-1-17(2-4-18)21-16-26-23-15-20(9-10-30(21)23)29-13-11-28(12-14-29)19-5-6-19/h1-4,7-10,15-16,19H,5-6,11-14H2,(H,27,32).
What are the key properties of N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4-cyclopropylpiperazin-1-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 162371925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).