(3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C17H15ClFN5O2 — CID 118471523

IUPAC(3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H15ClFN5O2/c1-10-6-14(24-17(22-10)20-9-21-24)15-8-23(4-5-26-15)16(25)11-2-3-13(19)12(18)7-11/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyRTIFAESCMRNKJB-UHFFFAOYSA-N
MW375.79 g/mol
LogP2.44
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471523) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471523
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC Name(3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H15ClFN5O2/c1-10-6-14(24-17(22-10)20-9-21-24)15-8-23(4-5-26-15)16(25)11-2-3-13(19)12(18)7-11/h2-3,6-7,9,15H,4-5,8H2,1H3
InChIKeyRTIFAESCMRNKJB-UHFFFAOYSA-N
XLogP2.44
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479616
(3-Chloro-4-fluorophenyl)-[3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471014
US11186582, Example 256
CID 118470982
US11186582, Example 536
CID 118471039
US11186582, Example 440
CID 118471074
US11186582, Example 303
CID 118471084
US11186582, Example 559
CID 118471111
US11186582, Example 480
CID 118471221
US11186582, Example 546
CID 118471441
US11186582, Example 474
CID 118471493
US11186582, Example 228
CID 118471505
US11186582, Example 231
CID 118471747

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471523) is (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc(F)c(Cl)c3)CCO2)n2ncnc2n1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is RTIFAESCMRNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-10-6-14(24-17(22-10)20-9-21-24)15-8-23(4-5-26-15)16(25)11-2-3-13(19)12(18)7-11/h2-3,6-7,9,15H,4-5,8H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 375.79 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).