[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

C23H26ClFN4O2 — CID 45235579

IUPAC[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)cc1F
InChIInChI=1S/C23H26ClFN4O2/c1-14-4-5-17(8-19(14)25)9-26-10-20-22(27-21-7-6-18(24)13-29(20)21)23(30)28-11-15(2)31-16(3)12-28/h4-8,13,15-16,26H,9-12H2,1-3H3/t15-,16+
InChIKeySQGOLGHVJYXPEI-IYBDPMFKSA-N
MW444.94 g/mol
LogP3.97
Rot. Bonds5

About [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone

[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 45235579) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID45235579
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC Name[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)cc1F
InChIInChI=1S/C23H26ClFN4O2/c1-14-4-5-17(8-19(14)25)9-26-10-20-22(27-21-7-6-18(24)13-29(20)21)23(30)28-11-15(2)31-16(3)12-28/h4-8,13,15-16,26H,9-12H2,1-3H3/t15-,16+
InChIKeySQGOLGHVJYXPEI-IYBDPMFKSA-N
XLogP3.97
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 45235579) is [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is Cc1ccc(CNCc2c(C(=O)N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(Cl)cn23)cc1F.
What is the InChIKey of [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is SQGOLGHVJYXPEI-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c1-14-4-5-17(8-19(14)25)9-26-10-20-22(27-21-7-6-18(24)13-29(20)21)23(30)28-11-15(2)31-16(3)12-28/h4-8,13,15-16,26H,9-12H2,1-3H3/t15-,16+.
What are the key properties of [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 444.94 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[[(3-fluoro-4-methylphenyl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 45235579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).