1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one

C21H20N8O2 — CID 72714759

IUPAC1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one
SMILESCOc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCCNC1=O
InChIInChI=1S/C21H20N8O2/c1-13-9-22-12-16(26-13)15-8-17-14(10-24-15)11-25-29(17)19-5-4-18(31-2)20(27-19)28-7-3-6-23-21(28)30/h4-5,8-12H,3,6-7H2,1-2H3,(H,23,30)
InChIKeyYNACXPCSBHKFII-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.51
Rot. Bonds4

About 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one

1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one (PubChem CID 72714759) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one
PubChem CID72714759
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one
SMILESCOc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCCNC1=O
InChIInChI=1S/C21H20N8O2/c1-13-9-22-12-16(26-13)15-8-17-14(10-24-15)11-25-29(17)19-5-4-18(31-2)20(27-19)28-7-3-6-23-21(28)30/h4-5,8-12H,3,6-7H2,1-2H3,(H,23,30)
InChIKeyYNACXPCSBHKFII-UHFFFAOYSA-N
XLogP2.51
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one (CID 72714759) is 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one is COc1ccc(-n2ncc3cnc(-c4cncc(C)n4)cc32)nc1N1CCCNC1=O.
What is the InChIKey of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one?
The InChIKey is YNACXPCSBHKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-13-9-22-12-16(26-13)15-8-17-14(10-24-15)11-25-29(17)19-5-4-18(31-2)20(27-19)28-7-3-6-23-21(28)30/h4-5,8-12H,3,6-7H2,1-2H3,(H,23,30).
What are the key properties of 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one?
1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one has a molecular weight of 416.45 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]-1,3-diazinan-2-one is sourced from PubChem (CID 72714759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).