3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide

C23H21ClFN5O2 — CID 177116636

IUPAC3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCn1cc(-c2cccc(F)c2-c2nc3cc(C(=O)NC4CC(C)(O)C4)ccn3c2Cl)cn1
InChIInChI=1S/C23H21ClFN5O2/c1-23(32)9-15(10-23)27-22(31)13-6-7-30-18(8-13)28-20(21(30)24)19-16(4-3-5-17(19)25)14-11-26-29(2)12-14/h3-8,11-12,15,32H,9-10H2,1-2H3,(H,27,31)
InChIKeyLLCADMDAQJMYMR-UHFFFAOYSA-N
MW453.91 g/mol
LogP3.84
Rot. Bonds4

About 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide

3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 177116636) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID177116636
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC Name3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCn1cc(-c2cccc(F)c2-c2nc3cc(C(=O)NC4CC(C)(O)C4)ccn3c2Cl)cn1
InChIInChI=1S/C23H21ClFN5O2/c1-23(32)9-15(10-23)27-22(31)13-6-7-30-18(8-13)28-20(21(30)24)19-16(4-3-5-17(19)25)14-11-26-29(2)12-14/h3-8,11-12,15,32H,9-10H2,1-2H3,(H,27,31)
InChIKeyLLCADMDAQJMYMR-UHFFFAOYSA-N
XLogP3.84
TPSA84.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide (CID 177116636) is 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide is Cn1cc(-c2cccc(F)c2-c2nc3cc(C(=O)NC4CC(C)(O)C4)ccn3c2Cl)cn1.
What is the InChIKey of 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is LLCADMDAQJMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c1-23(32)9-15(10-23)27-22(31)13-6-7-30-18(8-13)28-20(21(30)24)19-16(4-3-5-17(19)25)14-11-26-29(2)12-14/h3-8,11-12,15,32H,9-10H2,1-2H3,(H,27,31).
What are the key properties of 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide?
3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 453.91 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-fluoro-6-(1-methylpyrazol-4-yl)phenyl]-N-(3-hydroxy-3-methylcyclobutyl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 177116636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).