6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

C26H22ClF2N5O2 — CID 90096143

IUPAC6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cn12
InChIInChI=1S/C26H22ClF2N5O2/c27-19-12-18(20(28)13-21(19)29)25-17(4-1-8-30-25)16-6-7-23-32-14-22(34(23)15-16)26(36)31-9-3-11-33-10-2-5-24(33)35/h1,4,6-8,12-15H,2-3,5,9-11H2,(H,31,36)
InChIKeyYPVLFVIHGSCSGC-UHFFFAOYSA-N
MW509.94 g/mol
LogP4.74
Rot. Bonds7

About 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90096143) has the molecular formula C26H22ClF2N5O2 and a molecular weight of 509.94 g/mol. Its IUPAC name is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90096143
Molecular FormulaC26H22ClF2N5O2
Molecular Weight509.94 g/mol
Exact Mass509.14
IUPAC Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cn12
InChIInChI=1S/C26H22ClF2N5O2/c27-19-12-18(20(28)13-21(19)29)25-17(4-1-8-30-25)16-6-7-23-32-14-22(34(23)15-16)26(36)31-9-3-11-33-10-2-5-24(33)35/h1,4,6-8,12-15H,2-3,5,9-11H2,(H,31,36)
InChIKeyYPVLFVIHGSCSGC-UHFFFAOYSA-N
XLogP4.74
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 90096143) is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc2ccc(-c3cccnc3-c3cc(Cl)c(F)cc3F)cn12.
What is the InChIKey of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YPVLFVIHGSCSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N5O2/c27-19-12-18(20(28)13-21(19)29)25-17(4-1-8-30-25)16-6-7-23-32-14-22(34(23)15-16)26(36)31-9-3-11-33-10-2-5-24(33)35/h1,4,6-8,12-15H,2-3,5,9-11H2,(H,31,36).
What are the key properties of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 509.94 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90096143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).