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

C25H23ClFN5O — CID 90096076

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cn23)CC1
InChIInChI=1S/C25H23ClFN5O/c1-31-11-8-18(9-12-31)30-25(33)22-14-29-23-7-5-17(15-32(22)23)19-3-2-10-28-24(19)16-4-6-21(27)20(26)13-16/h2-7,10,13-15,18H,8-9,11-12H2,1H3,(H,30,33)
InChIKeyFCQXPEFBEHFGLQ-UHFFFAOYSA-N
MW463.94 g/mol
LogP4.68
Rot. Bonds4

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

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90096076) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90096076
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cn23)CC1
InChIInChI=1S/C25H23ClFN5O/c1-31-11-8-18(9-12-31)30-25(33)22-14-29-23-7-5-17(15-32(22)23)19-3-2-10-28-24(19)16-4-6-21(27)20(26)13-16/h2-7,10,13-15,18H,8-9,11-12H2,1H3,(H,30,33)
InChIKeyFCQXPEFBEHFGLQ-UHFFFAOYSA-N
XLogP4.68
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.94
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90096076) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is CN1CCC(NC(=O)c2cnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cn23)CC1.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is FCQXPEFBEHFGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c1-31-11-8-18(9-12-31)30-25(33)22-14-29-23-7-5-17(15-32(22)23)19-3-2-10-28-24(19)16-4-6-21(27)20(26)13-16/h2-7,10,13-15,18H,8-9,11-12H2,1H3,(H,30,33).
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 4.68, 4 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-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90096076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).