[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone

C20H23N7O3 — CID 59003534

IUPAC[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)cc2-c2cnc(N)cn2)cn1
InChIInChI=1S/C20H23N7O3/c1-29-14-5-7-26(8-6-14)20(28)15-9-17(16-11-23-18(21)12-22-16)27(25-15)13-3-4-19(30-2)24-10-13/h3-4,9-12,14H,5-8H2,1-2H3,(H2,21,23)
InChIKeyOSYHUGDQQRAFFQ-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.57
Rot. Bonds5

About [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone

[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 59003534) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID59003534
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)cc2-c2cnc(N)cn2)cn1
InChIInChI=1S/C20H23N7O3/c1-29-14-5-7-26(8-6-14)20(28)15-9-17(16-11-23-18(21)12-22-16)27(25-15)13-3-4-19(30-2)24-10-13/h3-4,9-12,14H,5-8H2,1-2H3,(H2,21,23)
InChIKeyOSYHUGDQQRAFFQ-UHFFFAOYSA-N
XLogP1.57
TPSA121.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone (CID 59003534) is [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCC(OC)CC3)cc2-c2cnc(N)cn2)cn1.
What is the InChIKey of [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is OSYHUGDQQRAFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-29-14-5-7-26(8-6-14)20(28)15-9-17(16-11-23-18(21)12-22-16)27(25-15)13-3-4-19(30-2)24-10-13/h3-4,9-12,14H,5-8H2,1-2H3,(H2,21,23).
What are the key properties of [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone?
[5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 409.45 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-aminopyrazin-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-3-yl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 59003534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).