9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one

C20H31N5O — CID 97136804

IUPAC9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(C)c(N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)n1
InChIInChI=1S/C20H31N5O/c1-15-12-21-16(2)19(22-15)24-10-7-20(8-11-24)6-4-18(26)25(14-20)17-5-9-23(3)13-17/h12,17H,4-11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyACWRZMMBNWIZJS-KRWDZBQOSA-N
MW357.50 g/mol
LogP2.01
Rot. Bonds2

About 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one

9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97136804) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97136804
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cnc(C)c(N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)n1
InChIInChI=1S/C20H31N5O/c1-15-12-21-16(2)19(22-15)24-10-7-20(8-11-24)6-4-18(26)25(14-20)17-5-9-23(3)13-17/h12,17H,4-11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyACWRZMMBNWIZJS-KRWDZBQOSA-N
XLogP2.01
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,6-dimethylpyrazin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843219
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
(rel-(1R,3S)-3-{[4-(3,6-dimethyl-2-pyrazinyl)-1-piperazinyl]carbonyl}cyclopentyl)amine dihydrochloride
CID 56897802
1-[4-(2,5-Dimethylimidazol-1-yl)piperidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 124047362
8-(3,6-Dimethyl-2-pyrazinyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70762560
2-cyclohexyl-N-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]acetamide
CID 91648232
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96382768
(6S)-8-(3,6-dimethylpyrazin-2-yl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579994
(6S)-8-(1-methylimidazole-2-carbonyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97117803
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
(5S)-7-(cyclobutylmethyl)-2-(3,6-dimethylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97200571
[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-4-yl]methanone
CID 11165470

Frequently Asked Questions

What is the IUPAC name of 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one (CID 97136804) is 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1cnc(C)c(N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)n1.
What is the InChIKey of 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ACWRZMMBNWIZJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31N5O/c1-15-12-21-16(2)19(22-15)24-10-7-20(8-11-24)6-4-18(26)25(14-20)17-5-9-23(3)13-17/h12,17H,4-11,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one?
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97136804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).