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

C20H21N5O3 — CID 11675293

IUPAC[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C)nc2)cn1
InChIInChI=1S/C20H21N5O3/c1-14-3-4-15(12-21-14)18-11-17(20(26)24-7-9-28-10-8-24)23-25(18)16-5-6-19(27-2)22-13-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDVNWPHRUTMENPC-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.12
Rot. Bonds4

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

[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone (PubChem CID 11675293) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
PubChem CID11675293
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C)nc2)cn1
InChIInChI=1S/C20H21N5O3/c1-14-3-4-15(12-21-14)18-11-17(20(26)24-7-9-28-10-8-24)23-25(18)16-5-6-19(27-2)22-13-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyDVNWPHRUTMENPC-UHFFFAOYSA-N
XLogP2.12
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone (CID 11675293) is [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C)nc2)cn1.
What is the InChIKey of [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DVNWPHRUTMENPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-14-3-4-15(12-21-14)18-11-17(20(26)24-7-9-28-10-8-24)23-25(18)16-5-6-19(27-2)22-13-16/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone?
[1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 379.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-pyridinyl)-5-(6-methyl-3-pyridinyl)pyrazol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 11675293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).