6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H23ClFN5O2 — CID 90095564

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C26H23ClFN5O2/c27-20-14-17(6-8-21(20)28)25-19(4-1-10-29-25)18-7-9-23-31-15-22(33(23)16-18)26(35)30-11-3-13-32-12-2-5-24(32)34/h1,4,6-10,14-16H,2-3,5,11-13H2,(H,30,35)
InChIKeyJGJYZOZGFMWTLF-UHFFFAOYSA-N
MW491.95 g/mol
LogP4.60
Rot. Bonds7

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095564) has the molecular formula C26H23ClFN5O2 and a molecular weight of 491.95 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90095564
Molecular FormulaC26H23ClFN5O2
Molecular Weight491.95 g/mol
Exact Mass491.15
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12
InChIInChI=1S/C26H23ClFN5O2/c27-20-14-17(6-8-21(20)28)25-19(4-1-10-29-25)18-7-9-23-31-15-22(33(23)16-18)26(35)30-11-3-13-32-12-2-5-24(32)34/h1,4,6-10,14-16H,2-3,5,11-13H2,(H,30,35)
InChIKeyJGJYZOZGFMWTLF-UHFFFAOYSA-N
XLogP4.60
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.95
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90095564) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cn12.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JGJYZOZGFMWTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN5O2/c27-20-14-17(6-8-21(20)28)25-19(4-1-10-29-25)18-7-9-23-31-15-22(33(23)16-18)26(35)30-11-3-13-32-12-2-5-24(32)34/h1,4,6-10,14-16H,2-3,5,11-13H2,(H,30,35).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 491.95 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).