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

C20H18FN7O2 — CID 118472643

IUPAC[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccn(-c4ccccc4F)n3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H18FN7O2/c1-13-10-17(28-20(24-13)22-12-23-28)18-11-26(8-9-30-18)19(29)15-6-7-27(25-15)16-5-3-2-4-14(16)21/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyQMEMSTQOYNRRIY-UHFFFAOYSA-N
MW407.41 g/mol
LogP1.97
Rot. Bonds3

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

[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118472643) has the molecular formula C20H18FN7O2 and a molecular weight of 407.41 g/mol. Its IUPAC name is [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118472643
Molecular FormulaC20H18FN7O2
Molecular Weight407.41 g/mol
Exact Mass407.15
IUPAC Name[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccn(-c4ccccc4F)n3)CCO2)n2ncnc2n1
InChIInChI=1S/C20H18FN7O2/c1-13-10-17(28-20(24-13)22-12-23-28)18-11-26(8-9-30-18)19(29)15-6-7-27(25-15)16-5-3-2-4-14(16)21/h2-7,10,12,18H,8-9,11H2,1H3
InChIKeyQMEMSTQOYNRRIY-UHFFFAOYSA-N
XLogP1.97
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-(5-Fluoropyrimidin-2-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974471
3-(methoxymethyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 165415010
US11186582, Example 546
CID 118471441
US11186582, Example 228
CID 118471505
US11186582, Example 384
CID 118472562
US11186582, Example 333
CID 118479614
US11186582, Example 332
CID 118479747
US11186582, Example 229
CID 118471176
US11186582, Example 543
CID 118471229
US11186582, Example 267
CID 118471278
US11186582, Example 554
CID 118471339
US11186582, Example 212
CID 118472480

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118472643) is [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccn(-c4ccccc4F)n3)CCO2)n2ncnc2n1.
What is the InChIKey of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is QMEMSTQOYNRRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O2/c1-13-10-17(28-20(24-13)22-12-23-28)18-11-26(8-9-30-18)19(29)15-6-7-27(25-15)16-5-3-2-4-14(16)21/h2-7,10,12,18H,8-9,11H2,1H3.
What are the key properties of [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
[1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 407.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)pyrazol-3-yl]-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118472643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).