N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

C25H21FN4O3 — CID 46942442

IUPACN-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESO=CNc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2c(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C25H21FN4O3/c26-21-7-5-18(6-8-21)23-14-27-24-22(28-16-31)13-20(15-30(23)24)17-1-3-19(4-2-17)25(32)29-9-11-33-12-10-29/h1-8,13-16H,9-12H2,(H,28,31)
InChIKeyMXBWIKAYSGPWEQ-UHFFFAOYSA-N
MW444.47 g/mol
LogP3.85
Rot. Bonds5

About N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide

N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (PubChem CID 46942442) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
PubChem CID46942442
Molecular FormulaC25H21FN4O3
Molecular Weight444.47 g/mol
Exact Mass444.16
IUPAC NameN-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide
SMILESO=CNc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2c(-c3ccc(F)cc3)cnc12
InChIInChI=1S/C25H21FN4O3/c26-21-7-5-18(6-8-21)23-14-27-24-22(28-16-31)13-20(15-30(23)24)17-1-3-19(4-2-17)25(32)29-9-11-33-12-10-29/h1-8,13-16H,9-12H2,(H,28,31)
InChIKeyMXBWIKAYSGPWEQ-UHFFFAOYSA-N
XLogP3.85
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The IUPAC name of N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide (CID 46942442) is N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is O=CNc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)cn2c(-c3ccc(F)cc3)cnc12.
What is the InChIKey of N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
The InChIKey is MXBWIKAYSGPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O3/c26-21-7-5-18(6-8-21)23-14-27-24-22(28-16-31)13-20(15-30(23)24)17-1-3-19(4-2-17)25(32)29-9-11-33-12-10-29/h1-8,13-16H,9-12H2,(H,28,31).
What are the key properties of N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide?
N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide has a molecular weight of 444.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-8-yl]formamide is sourced from PubChem (CID 46942442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).