(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

C18H25N5O2 — CID 124992900

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cccc([C@H]2CN(C(=O)c3cc(C(C)(C)C)[nH]n3)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)15-10-13(21-22-15)17(24)23-8-9-25-14(11-23)12-6-5-7-16(19-4)20-12/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyPTYIHPPDEDMVIN-CQSZACIVSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds3

About (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 124992900) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID124992900
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cccc([C@H]2CN(C(=O)c3cc(C(C)(C)C)[nH]n3)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)15-10-13(21-22-15)17(24)23-8-9-25-14(11-23)12-6-5-7-16(19-4)20-12/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,20)(H,21,22)/t14-/m1/s1
InChIKeyPTYIHPPDEDMVIN-CQSZACIVSA-N
XLogP2.36
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124939617
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124969938
[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
1H-imidazol-5-yl-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125016046
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
CID 110112464
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125003170
[3-(methoxymethyl)phenyl]-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952972
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
[2-(methylamino)-4-pyridinyl]-[(2S)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124958881
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 124992900) is (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is CNc1cccc([C@H]2CN(C(=O)c3cc(C(C)(C)C)[nH]n3)CCO2)n1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is PTYIHPPDEDMVIN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)15-10-13(21-22-15)17(24)23-8-9-25-14(11-23)12-6-5-7-16(19-4)20-12/h5-7,10,14H,8-9,11H2,1-4H3,(H,19,20)(H,21,22)/t14-/m1/s1.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 124992900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).