N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

C20H18ClN5O — CID 164618055

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O/c1-13(14-3-6-17(21)7-4-14)24-20(27)18-10-22-19-8-5-15(12-26(18)19)16-9-23-25(2)11-16/h3-13H,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyURUJOGLOBWNDJV-ZDUSSCGKSA-N
MW379.85 g/mol
LogP3.88
Rot. Bonds4

About N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 164618055) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID164618055
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClN5O/c1-13(14-3-6-17(21)7-4-14)24-20(27)18-10-22-19-8-5-15(12-26(18)19)16-9-23-25(2)11-16/h3-13H,1-2H3,(H,24,27)/t13-/m0/s1
InChIKeyURUJOGLOBWNDJV-ZDUSSCGKSA-N
XLogP3.88
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 164618055) is N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is C[C@H](NC(=O)c1cnc2ccc(-c3cnn(C)c3)cn12)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is URUJOGLOBWNDJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-13(14-3-6-17(21)7-4-14)24-20(27)18-10-22-19-8-5-15(12-26(18)19)16-9-23-25(2)11-16/h3-13H,1-2H3,(H,24,27)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 164618055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).