2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide

C22H20ClN5O — CID 46879572

IUPAC2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C22H20ClN5O/c1-14(15-7-3-2-4-8-15)28-19-12-11-18(20(24)29)26-21(19)27-22(28)25-13-16-9-5-6-10-17(16)23/h2-12,14H,13H2,1H3,(H2,24,29)(H,25,26,27)/t14-/m0/s1
InChIKeyPQYSARLPSALZJJ-AWEZNQCLSA-N
MW405.89 g/mol
LogP4.41
Rot. Bonds6

About 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879572) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879572
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C22H20ClN5O/c1-14(15-7-3-2-4-8-15)28-19-12-11-18(20(24)29)26-21(19)27-22(28)25-13-16-9-5-6-10-17(16)23/h2-12,14H,13H2,1H3,(H2,24,29)(H,25,26,27)/t14-/m0/s1
InChIKeyPQYSARLPSALZJJ-AWEZNQCLSA-N
XLogP4.41
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 46879572) is 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide is C[C@@H](c1ccccc1)n1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is PQYSARLPSALZJJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-14(15-7-3-2-4-8-15)28-19-12-11-18(20(24)29)26-21(19)27-22(28)25-13-16-9-5-6-10-17(16)23/h2-12,14H,13H2,1H3,(H2,24,29)(H,25,26,27)/t14-/m0/s1.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-[(1S)-1-phenylethyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).