[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

C19H19ClFN5O2 — CID 133378596

IUPAC[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H19ClFN5O2/c20-14-9-12(19(27)26-5-7-28-8-6-26)11-23-18(14)22-4-3-17-24-15-2-1-13(21)10-16(15)25-17/h1-2,9-11H,3-8H2,(H,22,23)(H,24,25)
InChIKeyHDPABMOYBIUPSP-UHFFFAOYSA-N
MW403.85 g/mol
LogP2.88
Rot. Bonds5

About [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 133378596) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID133378596
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C19H19ClFN5O2/c20-14-9-12(19(27)26-5-7-28-8-6-26)11-23-18(14)22-4-3-17-24-15-2-1-13(21)10-16(15)25-17/h1-2,9-11H,3-8H2,(H,22,23)(H,24,25)
InChIKeyHDPABMOYBIUPSP-UHFFFAOYSA-N
XLogP2.88
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273295
[5-chloro-6-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273331
[5-chloro-6-(ethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 61489721
N-[2-[[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]amino]ethyl]-2,2-dimethylpropanamide
CID 133326860
[5-chloro-6-[(4-morpholin-4-ylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273421
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
[6-[2-[[(2S)-butan-2-yl]-methylamino]ethylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 164632757
[5-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-nitrophenyl]-pyrrolidin-1-ylmethanone
CID 133378519
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103295108
[5-chloro-6-[(1-methylcyclopentyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133293714
[6-[(4-bromothiophen-2-yl)methylamino]-5-chloro-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273341
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 133378596) is [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is HDPABMOYBIUPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c20-14-9-12(19(27)26-5-7-28-8-6-26)11-23-18(14)22-4-3-17-24-15-2-1-13(21)10-16(15)25-17/h1-2,9-11H,3-8H2,(H,22,23)(H,24,25).
What are the key properties of [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 403.85 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 133378596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).