[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone

C18H20N6O3 — CID 11660663

IUPAC[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cnn(C)c2)cn1
InChIInChI=1S/C18H20N6O3/c1-22-12-13(10-20-22)16-9-15(18(25)23-5-7-27-8-6-23)21-24(16)14-3-4-17(26-2)19-11-14/h3-4,9-12H,5-8H2,1-2H3
InChIKeyZMRZYOWLKAJDAH-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.15
Rot. Bonds4

About [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone

[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 11660663) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID11660663
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cnn(C)c2)cn1
InChIInChI=1S/C18H20N6O3/c1-22-12-13(10-20-22)16-9-15(18(25)23-5-7-27-8-6-23)21-24(16)14-3-4-17(26-2)19-11-14/h3-4,9-12H,5-8H2,1-2H3
InChIKeyZMRZYOWLKAJDAH-UHFFFAOYSA-N
XLogP1.15
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 11660663) is [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cnn(C)c2)cn1.
What is the InChIKey of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ZMRZYOWLKAJDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-22-12-13(10-20-22)16-9-15(18(25)23-5-7-27-8-6-23)21-24(16)14-3-4-17(26-2)19-11-14/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 368.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11660663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).