1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C18H25N5O2 — CID 124955633

IUPAC1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCNc1cc(C)nc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1
InChIInChI=1S/C18H25N5O2/c1-13-10-14(19-2)11-16(21-13)17-12-23(8-9-25-17)18(24)5-4-15-6-7-20-22(15)3/h6-7,10-11,17H,4-5,8-9,12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyFLGWQABOMKRFFG-KRWDZBQOSA-N
MW343.43 g/mol
LogP1.70
Rot. Bonds5

About 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 124955633) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID124955633
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCNc1cc(C)nc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1
InChIInChI=1S/C18H25N5O2/c1-13-10-14(19-2)11-16(21-13)17-12-23(8-9-25-17)18(24)5-4-15-6-7-20-22(15)3/h6-7,10-11,17H,4-5,8-9,12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyFLGWQABOMKRFFG-KRWDZBQOSA-N
XLogP1.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 124955633) is 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is CNc1cc(C)nc([C@@H]2CN(C(=O)CCc3ccnn3C)CCO2)c1.
What is the InChIKey of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is FLGWQABOMKRFFG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-10-14(19-2)11-16(21-13)17-12-23(8-9-25-17)18(24)5-4-15-6-7-20-22(15)3/h6-7,10-11,17H,4-5,8-9,12H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.70, 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-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 124955633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).