8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one

C18H22N6O2 — CID 97449946

IUPAC8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(C(=O)N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)cn1
InChIInChI=1S/C18H22N6O2/c1-13-9-20-15(11-19-13)16(25)23-6-3-18(4-7-23)5-8-24(17(18)26)14-10-21-22(2)12-14/h9-12H,3-8H2,1-2H3
InChIKeyPTRVFLGWSWOCTB-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.18
Rot. Bonds2

About 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one

8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449946) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449946
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(C(=O)N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)cn1
InChIInChI=1S/C18H22N6O2/c1-13-9-20-15(11-19-13)16(25)23-6-3-18(4-7-23)5-8-24(17(18)26)14-10-21-22(2)12-14/h9-12H,3-8H2,1-2H3
InChIKeyPTRVFLGWSWOCTB-UHFFFAOYSA-N
XLogP1.18
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 97449946) is 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(C(=O)N2CCC3(CC2)CCN(c2cnn(C)c2)C3=O)cn1.
What is the InChIKey of 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is PTRVFLGWSWOCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13-9-20-15(11-19-13)16(25)23-6-3-18(4-7-23)5-8-24(17(18)26)14-10-21-22(2)12-14/h9-12H,3-8H2,1-2H3.
What are the key properties of 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 354.41 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).