[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone

C21H19N5O2 — CID 118471407

IUPAC[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc4ccccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C21H19N5O2/c1-14-10-18(26-21(24-14)22-13-23-26)19-12-25(8-9-28-19)20(27)17-7-6-15-4-2-3-5-16(15)11-17/h2-7,10-11,13,19H,8-9,12H2,1H3/t19-/m0/s1
InChIKeyPFMGZISTYXWWPH-IBGZPJMESA-N
MW373.42 g/mol
LogP2.80
Rot. Bonds2

About [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone

[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone (PubChem CID 118471407) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone
PubChem CID118471407
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone
SMILESCc1cc([C@@H]2CN(C(=O)c3ccc4ccccc4c3)CCO2)n2ncnc2n1
InChIInChI=1S/C21H19N5O2/c1-14-10-18(26-21(24-14)22-13-23-26)19-12-25(8-9-28-19)20(27)17-7-6-15-4-2-3-5-16(15)11-17/h2-7,10-11,13,19H,8-9,12H2,1H3/t19-/m0/s1
InChIKeyPFMGZISTYXWWPH-IBGZPJMESA-N
XLogP2.80
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471483
[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-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118470985
[3,3-Difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471136
[(3R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-naphthalen-2-ylmethanone
CID 118471479
3-[[4-amino-3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 58008820
US11186582, Example 348
CID 118470899
US11186582, Example 256
CID 118470982
US11186582, Example 536
CID 118471039
US11186582, Example 526
CID 118471075
US11186582, Example 303
CID 118471084
US11186582, Example 559
CID 118471111

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone (CID 118471407) is [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone is Cc1cc([C@@H]2CN(C(=O)c3ccc4ccccc4c3)CCO2)n2ncnc2n1.
What is the InChIKey of [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone?
The InChIKey is PFMGZISTYXWWPH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-10-18(26-21(24-14)22-13-23-26)19-12-25(8-9-28-19)20(27)17-7-6-15-4-2-3-5-16(15)11-17/h2-7,10-11,13,19H,8-9,12H2,1H3/t19-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone?
[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone has a molecular weight of 373.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 118471407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).