1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one

C25H31N5O2 — CID 124984073

IUPAC1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1
InChIInChI=1S/C25H31N5O2/c1-17-9-11-19(12-10-17)25(3,4)24(31)30-13-14-32-21(16-30)20-7-6-8-22(26-20)27-23-15-18(2)29(5)28-23/h6-12,15,21H,13-14,16H2,1-5H3,(H,26,27,28)/t21-/m0/s1
InChIKeyNIEJFNXMCNARKW-NRFANRHFSA-N
MW433.56 g/mol
LogP4.05
Rot. Bonds5

About 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one

1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one (PubChem CID 124984073) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
PubChem CID124984073
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1
InChIInChI=1S/C25H31N5O2/c1-17-9-11-19(12-10-17)25(3,4)24(31)30-13-14-32-21(16-30)20-7-6-8-22(26-20)27-23-15-18(2)29(5)28-23/h6-12,15,21H,13-14,16H2,1-5H3,(H,26,27,28)/t21-/m0/s1
InChIKeyNIEJFNXMCNARKW-NRFANRHFSA-N
XLogP4.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-[(2R)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950686
3-[6-[(2S)-4-[2-methyl-2-(4-methylphenyl)propanoyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124950685
6-[(2S)-4-cyclopentylsulfonylmorpholin-2-yl]-N-(1,5-dimethylpyrazol-3-yl)pyridin-2-amine
CID 124970812
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-4-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124965241
2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 110093026
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-[(4-methoxy-2,3,6-trimethylphenyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125005462
N-(1,5-dimethylpyrazol-3-yl)-6-[(2S)-4-[(6-methoxy-1-methylindol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125023234
N-(1,5-dimethylpyrazol-3-yl)-6-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]pyridin-2-amine
CID 124953524
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 129341515
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124992900
[5-[[(2R)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]methyl]-2-ethoxyphenyl]methanol
CID 124988259
1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one (CID 124984073) is 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one is Cc1ccc(C(C)(C)C(=O)N2CCO[C@H](c3cccc(Nc4cc(C)n(C)n4)n3)C2)cc1.
What is the InChIKey of 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one?
The InChIKey is NIEJFNXMCNARKW-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-9-11-19(12-10-17)25(3,4)24(31)30-13-14-32-21(16-30)20-7-6-8-22(26-20)27-23-15-18(2)29(5)28-23/h6-12,15,21H,13-14,16H2,1-5H3,(H,26,27,28)/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one?
1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one has a molecular weight of 433.56 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[6-[(1,5-dimethylpyrazol-3-yl)amino]-2-pyridinyl]morpholin-4-yl]-2-methyl-2-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 124984073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).