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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Related Compounds

(5-Methylpyrazin-2-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53551235
9-(5-Methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 118739525
[2-[(1-Methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 118739644
[9-[(1-Methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 118746670
[9-[(1-Methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746669
[8-[(1-Methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828227
6-Methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155828567
6-Methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155833824
[9-[(1-Methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847837
1-(pyrazine-2-carbonyl)-4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 155874211
7-(5-Methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131638067
6-Methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956

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).