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

C25H22ClF2N5O — CID 90094786

IUPAC6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cc(Cl)c(F)cc4F)cn23)CC1
InChIInChI=1S/C25H22ClF2N5O/c1-32-9-6-16(7-10-32)31-25(34)22-13-30-23-5-4-15(14-33(22)23)17-3-2-8-29-24(17)18-11-19(26)21(28)12-20(18)27/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,31,34)
InChIKeyLQOFGAKMTPLZBQ-UHFFFAOYSA-N
MW481.93 g/mol
LogP4.82
Rot. Bonds4

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

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90094786) has the molecular formula C25H22ClF2N5O and a molecular weight of 481.93 g/mol. Its IUPAC name is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90094786
Molecular FormulaC25H22ClF2N5O
Molecular Weight481.93 g/mol
Exact Mass481.15
IUPAC Name6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cc(Cl)c(F)cc4F)cn23)CC1
InChIInChI=1S/C25H22ClF2N5O/c1-32-9-6-16(7-10-32)31-25(34)22-13-30-23-5-4-15(14-33(22)23)17-3-2-8-29-24(17)18-11-19(26)21(28)12-20(18)27/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,31,34)
InChIKeyLQOFGAKMTPLZBQ-UHFFFAOYSA-N
XLogP4.82
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.93
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90094786) is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4cc(Cl)c(F)cc4F)cn23)CC1.
What is the InChIKey of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LQOFGAKMTPLZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O/c1-32-9-6-16(7-10-32)31-25(34)22-13-30-23-5-4-15(14-33(22)23)17-3-2-8-29-24(17)18-11-19(26)21(28)12-20(18)27/h2-5,8,11-14,16H,6-7,9-10H2,1H3,(H,31,34).
What are the key properties of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 481.93 g/mol, XLogP of 4.82, 4 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-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90094786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).