[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone

C23H22ClN7O2 — CID 118117277

IUPAC[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2Cl)c1-n1nccn1
InChIInChI=1S/C23H22ClN7O2/c1-16-3-2-4-20(22(16)31-27-9-10-28-31)23(32)29-11-12-33-15-19(29)14-17-13-18(5-6-21(17)24)30-25-7-8-26-30/h2-10,13,19H,11-12,14-15H2,1H3/t19-/m1/s1
InChIKeyFIPXBPYXRCPALA-LJQANCHMSA-N
MW463.93 g/mol
LogP2.89
Rot. Bonds5

About [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone

[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118117277) has the molecular formula C23H22ClN7O2 and a molecular weight of 463.93 g/mol. Its IUPAC name is [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID118117277
Molecular FormulaC23H22ClN7O2
Molecular Weight463.93 g/mol
Exact Mass463.15
IUPAC Name[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2Cl)c1-n1nccn1
InChIInChI=1S/C23H22ClN7O2/c1-16-3-2-4-20(22(16)31-27-9-10-28-31)23(32)29-11-12-33-15-19(29)14-17-13-18(5-6-21(17)24)30-25-7-8-26-30/h2-10,13,19H,11-12,14-15H2,1H3/t19-/m1/s1
InChIKeyFIPXBPYXRCPALA-LJQANCHMSA-N
XLogP2.89
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566197
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[(2R,5R)-5-[[2-fluoro-5-(triazol-2-yl)phenyl]methyl]-2-methylmorpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118116740
[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78114294
[(3R)-3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566268
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565956
2-[4-(2-bromo-3-methylbenzoyl)morpholin-3-yl]acetic acid
CID 107981509
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
2-[4-(3-chloro-2-fluorobenzoyl)morpholin-3-yl]acetic acid
CID 81266026
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520
2-[(3S)-4-(3-chloro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 124572821

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118117277) is [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2Cl)c1-n1nccn1.
What is the InChIKey of [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is FIPXBPYXRCPALA-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22ClN7O2/c1-16-3-2-4-20(22(16)31-27-9-10-28-31)23(32)29-11-12-33-15-19(29)14-17-13-18(5-6-21(17)24)30-25-7-8-26-30/h2-10,13,19H,11-12,14-15H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 463.93 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118117277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).