[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone

C18H25N5O2 — CID 124952383

IUPAC[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-4-9-23-10-8-15(20-23)18(24)22-11-12-25-16(13-22)14-6-5-7-17(19-14)21(2)3/h5-8,10,16H,4,9,11-13H2,1-3H3/t16-/m1/s1
InChIKeyDNYGSSCGBRBDIT-MRXNPFEDSA-N
MW343.43 g/mol
LogP1.97
Rot. Bonds5

About [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone

[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone (PubChem CID 124952383) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
PubChem CID124952383
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-4-9-23-10-8-15(20-23)18(24)22-11-12-25-16(13-22)14-6-5-7-17(19-14)21(2)3/h5-8,10,16H,4,9,11-13H2,1-3H3/t16-/m1/s1
InChIKeyDNYGSSCGBRBDIT-MRXNPFEDSA-N
XLogP1.97
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone (CID 124952383) is [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1.
What is the InChIKey of [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone?
The InChIKey is DNYGSSCGBRBDIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-9-23-10-8-15(20-23)18(24)22-11-12-25-16(13-22)14-6-5-7-17(19-14)21(2)3/h5-8,10,16H,4,9,11-13H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone?
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 124952383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).