7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C17H20N6O2 — CID 131638067

IUPAC7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1cnc(C(=O)N2CCC3(CC(=O)N(c4cnn(C)c4)C3)C2)cn1
InChIInChI=1S/C17H20N6O2/c1-12-6-19-14(8-18-12)16(25)22-4-3-17(10-22)5-15(24)23(11-17)13-7-20-21(2)9-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyMXRXWTVLDQXPER-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.79
Rot. Bonds2

About 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131638067) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131638067
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCc1cnc(C(=O)N2CCC3(CC(=O)N(c4cnn(C)c4)C3)C2)cn1
InChIInChI=1S/C17H20N6O2/c1-12-6-19-14(8-18-12)16(25)22-4-3-17(10-22)5-15(24)23(11-17)13-7-20-21(2)9-13/h6-9H,3-5,10-11H2,1-2H3
InChIKeyMXRXWTVLDQXPER-UHFFFAOYSA-N
XLogP0.79
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 131638067) is 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cc1cnc(C(=O)N2CCC3(CC(=O)N(c4cnn(C)c4)C3)C2)cn1.
What is the InChIKey of 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is MXRXWTVLDQXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-6-19-14(8-18-12)16(25)22-4-3-17(10-22)5-15(24)23(11-17)13-7-20-21(2)9-13/h6-9H,3-5,10-11H2,1-2H3.
What are the key properties of 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 340.39 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131638067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).