2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C19H18F3N5O2 — CID 58207314

IUPAC2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCc1cc2nc(CC(=O)c3ccc(C(F)(F)F)nc3)cc(N3CCOCC3)n2n1
InChIInChI=1S/C19H18F3N5O2/c1-12-8-17-24-14(10-18(27(17)25-12)26-4-6-29-7-5-26)9-15(28)13-2-3-16(23-11-13)19(20,21)22/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyFEFSMXWLABSGGO-UHFFFAOYSA-N
MW405.38 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 58207314) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID58207314
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCc1cc2nc(CC(=O)c3ccc(C(F)(F)F)nc3)cc(N3CCOCC3)n2n1
InChIInChI=1S/C19H18F3N5O2/c1-12-8-17-24-14(10-18(27(17)25-12)26-4-6-29-7-5-26)9-15(28)13-2-3-16(23-11-13)19(20,21)22/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyFEFSMXWLABSGGO-UHFFFAOYSA-N
XLogP2.71
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ocinaplon
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GSK-3|A inhibitor 13
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N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
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US10774086, Example 17
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US10774086, Example 13
CID 134551589
US10774086, Example 25
CID 134551606
US10774086, Example 18
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US10774086, Example 26
CID 139465943
7-(Difluoromethyl)-5-(4-methylphenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1094006
5-(2-Methoxyethyl)-1-Methyl-2-[2-[(2-Methylpyrazol-3-Yl)amino]pyrimidin-4-Yl]-6,7-Dihydropyrrolo[3,2-C]pyridin-4-One
CID 126480565
1-(7-Methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 708078
7-(difluoromethyl)-N-morpholin-4-yl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995380

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 58207314) is 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is Cc1cc2nc(CC(=O)c3ccc(C(F)(F)F)nc3)cc(N3CCOCC3)n2n1.
What is the InChIKey of 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is FEFSMXWLABSGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-12-8-17-24-14(10-18(27(17)25-12)26-4-6-29-7-5-26)9-15(28)13-2-3-16(23-11-13)19(20,21)22/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 405.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 58207314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).